cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone

C17H28O2 — CID 106652279

IUPACcyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCCC2)CCC(C)(C)CC1
InChIInChI=1S/C17H28O2/c1-16(2)10-12-17(19-3,13-11-16)15(18)14-8-6-4-5-7-9-14/h8H,4-7,9-13H2,1-3H3
InChIKeyUATZBCLWCZOGAC-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.43
Rot. Bonds3

About cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone

cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone (PubChem CID 106652279) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone
PubChem CID106652279
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Namecyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCCC2)CCC(C)(C)CC1
InChIInChI=1S/C17H28O2/c1-16(2)10-12-17(19-3,13-11-16)15(18)14-8-6-4-5-7-9-14/h8H,4-7,9-13H2,1-3H3
InChIKeyUATZBCLWCZOGAC-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R,4aR)-3-methoxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
CID 10060589
2-Methoxy-6,6-bis(3-methylbut-3-enyl)cyclohex-4-ene-1,3-dione
CID 172694998
(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one
CID 10998193
3-methoxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
CID 85107318
1-Methoxy-5-methylbicyclo[3.2.2]non-3-en-2-one
CID 85528704
(1S,4S)-1-methoxy-4,5-dimethyl-3-methylidenebicyclo[2.2.2]oct-5-en-2-one
CID 101019906
3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 102647060
2,3-Dihydrofuran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 102651138
2,3-Dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 102651139
3-(3-Methoxy-3-methylbutyl)-5,5-dimethylcyclohex-2-en-1-one
CID 103037514
2-Methoxy-1-(4-methylcyclohexen-1-yl)ethanone
CID 103450967
1-(Cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one
CID 106652032

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The IUPAC name of cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone (CID 106652279) is cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The canonical SMILES for cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone is COC1(C(=O)C2=CCCCCC2)CCC(C)(C)CC1.
What is the InChIKey of cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The InChIKey is UATZBCLWCZOGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-16(2)10-12-17(19-3,13-11-16)15(18)14-8-6-4-5-7-9-14/h8H,4-7,9-13H2,1-3H3.
What are the key properties of cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone has a molecular weight of 264.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 106652279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).