1-(1-methoxycyclohexyl)oct-7-en-1-one

C15H26O2 — CID 107008406

IUPAC1-(1-methoxycyclohexyl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1(OC)CCCCC1
InChIInChI=1S/C15H26O2/c1-3-4-5-6-8-11-14(16)15(17-2)12-9-7-10-13-15/h3H,1,4-13H2,2H3
InChIKeyWXLAUVPGULTHDP-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.04
Rot. Bonds8

About 1-(1-methoxycyclohexyl)oct-7-en-1-one

1-(1-methoxycyclohexyl)oct-7-en-1-one (PubChem CID 107008406) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)oct-7-en-1-one
PubChem CID107008406
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-(1-methoxycyclohexyl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1(OC)CCCCC1
InChIInChI=1S/C15H26O2/c1-3-4-5-6-8-11-14(16)15(17-2)12-9-7-10-13-15/h3H,1,4-13H2,2H3
InChIKeyWXLAUVPGULTHDP-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.04
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

1-Methoxy-3-prop-2-enylheptan-2-one
CID 88759262
1-(1-Methoxy-4-methylidenecyclohexyl)ethanone
CID 90364768
1-(2-dodecyl-3H-furan-2-yl)dodecan-1-one
CID 129105154
2-(3-Methoxy-3-methylbutoxy)-2-methyltridec-12-en-3-one
CID 131967355
1-Cyclohexyl-2-hydroxy-2-methylhex-5-en-1-one
CID 140419733
4-Methylpent-1-enyl 2-cyclohexyl-2-oxoacetate
CID 140995903
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)heptan-1-one
CID 149647284
2-Ethoxy-2-methyldodec-11-en-3-one
CID 167140971
1-(1-Methoxycyclohexa-2,5-dien-1-yl)heptan-1-one
CID 174719209
(5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one
CID 10262043
(2-Oxo-1-prop-2-enylcyclohexyl) acetate
CID 10330305
(5R,8S)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one
CID 10352619

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)oct-7-en-1-one?
The IUPAC name of 1-(1-methoxycyclohexyl)oct-7-en-1-one (CID 107008406) is 1-(1-methoxycyclohexyl)oct-7-en-1-one.
What is the SMILES notation for 1-(1-methoxycyclohexyl)oct-7-en-1-one?
The canonical SMILES for 1-(1-methoxycyclohexyl)oct-7-en-1-one is C=CCCCCCC(=O)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)oct-7-en-1-one?
The InChIKey is WXLAUVPGULTHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-4-5-6-8-11-14(16)15(17-2)12-9-7-10-13-15/h3H,1,4-13H2,2H3.
What are the key properties of 1-(1-methoxycyclohexyl)oct-7-en-1-one?
1-(1-methoxycyclohexyl)oct-7-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)oct-7-en-1-one is sourced from PubChem (CID 107008406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).