3-cyclohexylpropyl undeca-2,3-dienoate

C20H34O2 — CID 174486249

IUPAC3-cyclohexylpropyl undeca-2,3-dienoate
SMILESCCCCCCCC=C=CC(=O)OCCCC1CCCCC1
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-12-17-20(21)22-18-13-16-19-14-10-9-11-15-19/h8,17,19H,2-7,9-11,13-16,18H2,1H3
InChIKeyGNKWCMFOHUAGCD-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.96
Rot. Bonds11

About 3-cyclohexylpropyl undeca-2,3-dienoate

3-cyclohexylpropyl undeca-2,3-dienoate (PubChem CID 174486249) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 3-cyclohexylpropyl undeca-2,3-dienoate.

Molecular Properties

Compound Name3-cyclohexylpropyl undeca-2,3-dienoate
PubChem CID174486249
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name3-cyclohexylpropyl undeca-2,3-dienoate
SMILESCCCCCCCC=C=CC(=O)OCCCC1CCCCC1
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-12-17-20(21)22-18-13-16-19-14-10-9-11-15-19/h8,17,19H,2-7,9-11,13-16,18H2,1H3
InChIKeyGNKWCMFOHUAGCD-UHFFFAOYSA-N
XLogP5.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-O-(cyclohexylmethyl) 1-O-heptadecyl (E)-but-2-enedioate
CID 91700938
4-O-(cyclopentylmethyl) 1-O-nonyl (E)-but-2-enedioate
CID 91697871
ethyl acetate;hexylcyclohexane
CID 23285784
7-cyclopropylheptyl (2E,4E)-dodeca-2,4-dienoate
CID 21445853
heptylcyclohexane;propan-2-one
CID 143570854
3-cyclopropylpropyl (Z)-octadec-9-enoate
CID 175440154
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
carbonyl dichloride;pentylcyclohexane
CID 19977556
butyl 4-cyclopentylbutanoate
CID 175866077

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpropyl undeca-2,3-dienoate?
The IUPAC name of 3-cyclohexylpropyl undeca-2,3-dienoate (CID 174486249) is 3-cyclohexylpropyl undeca-2,3-dienoate.
What is the SMILES notation for 3-cyclohexylpropyl undeca-2,3-dienoate?
The canonical SMILES for 3-cyclohexylpropyl undeca-2,3-dienoate is CCCCCCCC=C=CC(=O)OCCCC1CCCCC1.
What is the InChIKey of 3-cyclohexylpropyl undeca-2,3-dienoate?
The InChIKey is GNKWCMFOHUAGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-12-17-20(21)22-18-13-16-19-14-10-9-11-15-19/h8,17,19H,2-7,9-11,13-16,18H2,1H3.
What are the key properties of 3-cyclohexylpropyl undeca-2,3-dienoate?
3-cyclohexylpropyl undeca-2,3-dienoate has a molecular weight of 306.49 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropyl undeca-2,3-dienoate is sourced from PubChem (CID 174486249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).