ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate

C14H24O2 — CID 175561082

IUPACethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(C)CCC=C(C)C
InChIInChI=1S/C14H24O2/c1-5-16-14(15)13-9-12(13)11(4)8-6-7-10(2)3/h7,11-13H,5-6,8-9H2,1-4H3
InChIKeyKPDHVLIXDJYVSU-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds6

About ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate

ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate (PubChem CID 175561082) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate
PubChem CID175561082
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(C)CCC=C(C)C
InChIInChI=1S/C14H24O2/c1-5-16-14(15)13-9-12(13)11(4)8-6-7-10(2)3/h7,11-13H,5-6,8-9H2,1-4H3
InChIKeyKPDHVLIXDJYVSU-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate
CID 131213145
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
ethyl (2S)-2-propan-2-ylcyclohexane-1-carboxylate
CID 58682733
ethyl (3S)-3-amino-7-methyloct-6-enoate
CID 129027136
ethyl (2E)-4,8-dimethylnona-2,7-dienoate
CID 11830711
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
trans-ethyl (1S,2S)-2-(4-methylpentanoyl)cyclopropane-1-carboxylate
CID 10774911
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
4-hydroxy-2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
CID 155887258
ethyl 2-prop-1-enylcyclopropane-1-carboxylate
CID 556831
diethyl 2-(5-methylhex-4-enyl)propanedioate
CID 10999682

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate (CID 175561082) is ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1C(C)CCC=C(C)C.
What is the InChIKey of ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate?
The InChIKey is KPDHVLIXDJYVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-16-14(15)13-9-12(13)11(4)8-6-7-10(2)3/h7,11-13H,5-6,8-9H2,1-4H3.
What are the key properties of ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate?
ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 175561082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).