cyclohepten-1-yl-(1-methoxycyclohexyl)methanone

C15H24O2 — CID 106652257

IUPACcyclohepten-1-yl-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCCC2)CCCCC1
InChIInChI=1S/C15H24O2/c1-17-15(11-7-4-8-12-15)14(16)13-9-5-2-3-6-10-13/h9H,2-8,10-12H2,1H3
InChIKeyHDSNMWUMYWVMMB-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.80
Rot. Bonds3

About cyclohepten-1-yl-(1-methoxycyclohexyl)methanone

cyclohepten-1-yl-(1-methoxycyclohexyl)methanone (PubChem CID 106652257) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-methoxycyclohexyl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-methoxycyclohexyl)methanone
PubChem CID106652257
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecyclohepten-1-yl-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCCC2)CCCCC1
InChIInChI=1S/C15H24O2/c1-17-15(11-7-4-8-12-15)14(16)13-9-5-2-3-6-10-13/h9H,2-8,10-12H2,1H3
InChIKeyHDSNMWUMYWVMMB-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Primin
CID 84800
2,5-Cyclohexadiene-1,4-dione, 2-heptyl-6-methoxy-
CID 183882
5-Heptyl-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183878
5-(Cyclohexylmethyl)-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183879
(3R,4R,4aR)-3-methoxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
CID 10060589
5-Methoxy-2-methyl-3-(9,11,13,15-tetramethylheptadecyl)cyclohexa-2,5-diene-1,4-dione
CID 71434663
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140
1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
1-Methoxybicyclo[2.2.2]octenone
CID 129668738
2-Methoxy-5-methyl-6-(13-methyltetradecyl)-1,4-benzoquinone
CID 177860815
Bbbfciwralhcai-uhfffaoysa-
CID 12129273
5-Methoxy-1,2,3,4,4a,5,6,7-octahydro-benzo[7]annulen-8-one
CID 14040235

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-methoxycyclohexyl)methanone?
The IUPAC name of cyclohepten-1-yl-(1-methoxycyclohexyl)methanone (CID 106652257) is cyclohepten-1-yl-(1-methoxycyclohexyl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(1-methoxycyclohexyl)methanone?
The canonical SMILES for cyclohepten-1-yl-(1-methoxycyclohexyl)methanone is COC1(C(=O)C2=CCCCCC2)CCCCC1.
What is the InChIKey of cyclohepten-1-yl-(1-methoxycyclohexyl)methanone?
The InChIKey is HDSNMWUMYWVMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-17-15(11-7-4-8-12-15)14(16)13-9-5-2-3-6-10-13/h9H,2-8,10-12H2,1H3.
What are the key properties of cyclohepten-1-yl-(1-methoxycyclohexyl)methanone?
cyclohepten-1-yl-(1-methoxycyclohexyl)methanone has a molecular weight of 236.35 g/mol, XLogP of 3.80, 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-methoxycyclohexyl)methanone is sourced from PubChem (CID 106652257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).