ethyl (E)-3-cyclohexylpent-2-enoate

C13H22O2 — CID 11106639

IUPACethyl (E)-3-cyclohexylpent-2-enoate
SMILESCCOC(=O)/C=C(\CC)C1CCCCC1
InChIInChI=1S/C13H22O2/c1-3-11(10-13(14)15-4-2)12-8-6-5-7-9-12/h10,12H,3-9H2,1-2H3/b11-10+
InChIKeyZWPFRTAILDBBBI-ZHACJKMWSA-N
MW210.32 g/mol
LogP3.47
Rot. Bonds4

About ethyl (E)-3-cyclohexylpent-2-enoate

ethyl (E)-3-cyclohexylpent-2-enoate (PubChem CID 11106639) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethyl (E)-3-cyclohexylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-cyclohexylpent-2-enoate
PubChem CID11106639
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethyl (E)-3-cyclohexylpent-2-enoate
SMILESCCOC(=O)/C=C(\CC)C1CCCCC1
InChIInChI=1S/C13H22O2/c1-3-11(10-13(14)15-4-2)12-8-6-5-7-9-12/h10,12H,3-9H2,1-2H3/b11-10+
InChIKeyZWPFRTAILDBBBI-ZHACJKMWSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carvyl acetate
CID 7335
Hydroprene
CID 5372477
S-Hydroprene
CID 5282198
Phytyl acetate
CID 637195
Phytol, acetate
CID 6428538
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Lavandulyl Senecioate
CID 11264867
2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-
CID 6435040
Carvyl acetate, (1S,5S)-
CID 81544
3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate
CID 53425386
Sinodor
CID 89382

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-cyclohexylpent-2-enoate?
The IUPAC name of ethyl (E)-3-cyclohexylpent-2-enoate (CID 11106639) is ethyl (E)-3-cyclohexylpent-2-enoate.
What is the SMILES notation for ethyl (E)-3-cyclohexylpent-2-enoate?
The canonical SMILES for ethyl (E)-3-cyclohexylpent-2-enoate is CCOC(=O)/C=C(\CC)C1CCCCC1.
What is the InChIKey of ethyl (E)-3-cyclohexylpent-2-enoate?
The InChIKey is ZWPFRTAILDBBBI-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-11(10-13(14)15-4-2)12-8-6-5-7-9-12/h10,12H,3-9H2,1-2H3/b11-10+.
What are the key properties of ethyl (E)-3-cyclohexylpent-2-enoate?
ethyl (E)-3-cyclohexylpent-2-enoate has a molecular weight of 210.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-cyclohexylpent-2-enoate is sourced from PubChem (CID 11106639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).