2-methylhept-6-en-2-yl cyclohexene-1-carboxylate

C15H24O2 — CID 135038062

IUPAC2-methylhept-6-en-2-yl cyclohexene-1-carboxylate
SMILESC=CCCCC(C)(C)OC(=O)C1=CCCCC1
InChIInChI=1S/C15H24O2/c1-4-5-9-12-15(2,3)17-14(16)13-10-7-6-8-11-13/h4,10H,1,5-9,11-12H2,2-3H3
InChIKeyOCXDRICRXDRYBQ-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.16
Rot. Bonds6

About 2-methylhept-6-en-2-yl cyclohexene-1-carboxylate

2-methylhept-6-en-2-yl cyclohexene-1-carboxylate (PubChem CID 135038062) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-methylhept-6-en-2-yl cyclohexene-1-carboxylate.

Molecular Properties

Compound Name2-methylhept-6-en-2-yl cyclohexene-1-carboxylate
PubChem CID135038062
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-methylhept-6-en-2-yl cyclohexene-1-carboxylate
SMILESC=CCCCC(C)(C)OC(=O)C1=CCCCC1
InChIInChI=1S/C15H24O2/c1-4-5-9-12-15(2,3)17-14(16)13-10-7-6-8-11-13/h4,10H,1,5-9,11-12H2,2-3H3
InChIKeyOCXDRICRXDRYBQ-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Linalyl hexanoate
CID 564550
Linalyl octanoate
CID 61435
Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
CID 4453437
Methyl cyclohex-1-ene-1-carboxylate
CID 87647
3-Oxo-cyclohex-1-enecarboxylic acid methyl ester
CID 581049
Methyl (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
CID 14159029
3-Hexylfuran-2,5-dione
CID 15882442
Tert-butyl 3,3-dimethyl-6-oxocyclohexene-1-carboxylate
CID 134142606
(5S,S)-5-methyl-3-(3-methylpentyl)furan-2(5H)-one
CID 16090236
2,5-Furandione, dihydro-3-(isooctenyl)-
CID 119961
(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one
CID 71453698
Prop-2-enyl 3,3-dimethyl-6-oxocyclohexene-1-carboxylate
CID 134145426

Frequently Asked Questions

What is the IUPAC name of 2-methylhept-6-en-2-yl cyclohexene-1-carboxylate?
The IUPAC name of 2-methylhept-6-en-2-yl cyclohexene-1-carboxylate (CID 135038062) is 2-methylhept-6-en-2-yl cyclohexene-1-carboxylate.
What is the SMILES notation for 2-methylhept-6-en-2-yl cyclohexene-1-carboxylate?
The canonical SMILES for 2-methylhept-6-en-2-yl cyclohexene-1-carboxylate is C=CCCCC(C)(C)OC(=O)C1=CCCCC1.
What is the InChIKey of 2-methylhept-6-en-2-yl cyclohexene-1-carboxylate?
The InChIKey is OCXDRICRXDRYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-5-9-12-15(2,3)17-14(16)13-10-7-6-8-11-13/h4,10H,1,5-9,11-12H2,2-3H3.
What are the key properties of 2-methylhept-6-en-2-yl cyclohexene-1-carboxylate?
2-methylhept-6-en-2-yl cyclohexene-1-carboxylate has a molecular weight of 236.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhept-6-en-2-yl cyclohexene-1-carboxylate is sourced from PubChem (CID 135038062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).