CAS 18031-40-8|(4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde|(S)-4-(prop-1-en-2-yl)cyclohex-1-enecarbaldehyde|(4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde|(-)-Perillaaldehyde|(S)-4-Is...

General Information

Structure

Molecular Formula

C₁₀H₁₄O

Molecular Mass

150.21756

Exact Mass

150.10446507

Charge

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1

InChIKey

RUMOYJJNUMEFDD-SNVBAGLBSA-N

Canonic Smiles

O=CC1=CC[C@H](CC1)C(=C)C

Isomeric Smiles

C(=C)([C@@H]1CC=C(C=O)CC1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.252889

LogD (pH = 7.4)

2.252889

Log P

2.252889

Molar Refractivity

47.2721

Polarizability

18.023672

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde

Synonyms

(S)-4-(prop-1-en-2-yl)cyclohex-1-enecarbaldehyde(-)-Perillaaldehyde(S)-4-Isopropenyl-cyclohexene-1-carboxaldehyde(S)-(-)-Perillaldehyde(S)-(-)-紫苏醛(-)-紫苏醛(S)-1,8-对孟二烯-7-醛(S)-p-Mentha-1,8-dien-7-al(S)-4-异丙烯基环己-1-烯-1-醛

IUPAC name

(4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde

Names and Identifiers

Registration numbers

Beilstein Number

2326448

PubChem SID

2485305724901780162107850

CAS Number

18031-40-8

MDL Number

MFCD00001543