2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one

C14H24O — CID 10867518

IUPAC2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one
SMILESCCCC/C=C/CC1CCCC(C)C1=O
InChIInChI=1S/C14H24O/c1-3-4-5-6-7-10-13-11-8-9-12(2)14(13)15/h6-7,12-13H,3-5,8-11H2,1-2H3/b7-6+
InChIKeyDPRZXQVTOLQGID-VOTSOKGWSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds5

About 2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one

2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one (PubChem CID 10867518) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one
PubChem CID10867518
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one
SMILESCCCC/C=C/CC1CCCC(C)C1=O
InChIInChI=1S/C14H24O/c1-3-4-5-6-7-10-13-11-8-9-12(2)14(13)15/h6-7,12-13H,3-5,8-11H2,1-2H3/b7-6+
InChIKeyDPRZXQVTOLQGID-VOTSOKGWSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

cis-(2S,6R)-2-methyl-6-(3-trimethylsilylprop-2-enyl)cyclohexan-1-one
CID 71412248
(2S)-2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 76967590
2-methyl-6-(3-methylbut-2-enyl)cyclohexan-1-one
CID 12652924
(E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 174922472
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
3-docos-2-enyloxolane-2,5-dione
CID 88737726
2-[[tert-butyl(methyl)amino]methyl]-6-methylcyclohexan-1-one
CID 139383474
(5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11277414
trans-(2S,6S)-2,6-dipropylcyclohexan-1-one
CID 12712312
[(E)-hex-1-enyl]cyclopropane
CID 5352188
3-[(E)-hexadec-2-enyl]-1-octadecylpyrrolidine-2,5-dione
CID 6365999

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one?
The IUPAC name of 2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one (CID 10867518) is 2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one.
What is the SMILES notation for 2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one?
The canonical SMILES for 2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one is CCCC/C=C/CC1CCCC(C)C1=O.
What is the InChIKey of 2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one?
The InChIKey is DPRZXQVTOLQGID-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H24O/c1-3-4-5-6-7-10-13-11-8-9-12(2)14(13)15/h6-7,12-13H,3-5,8-11H2,1-2H3/b7-6+.
What are the key properties of 2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one?
2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one is sourced from PubChem (CID 10867518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).