1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one

C14H24O2 — CID 103450416

IUPAC1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
SMILESCOC(C)(C)CCC(=O)C1=CCCCCC1
InChIInChI=1S/C14H24O2/c1-14(2,16-3)11-10-13(15)12-8-6-4-5-7-9-12/h8H,4-7,9-11H2,1-3H3
InChIKeyCUCNAPXFKVSWQS-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.65
Rot. Bonds5

About 1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one

1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one (PubChem CID 103450416) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
PubChem CID103450416
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
SMILESCOC(C)(C)CCC(=O)C1=CCCCCC1
InChIInChI=1S/C14H24O2/c1-14(2,16-3)11-10-13(15)12-8-6-4-5-7-9-12/h8H,4-7,9-11H2,1-3H3
InChIKeyCUCNAPXFKVSWQS-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
CID 106651877
1-(cyclopenten-1-yl)-4,4-dimethylhexan-1-one
CID 129257201
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62078293
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
1-(cyclohepten-1-yl)-4-ethylsulfonylbutan-1-one
CID 103450590
2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450386
methyl cyclododecene-1-carboxylate
CID 54564642
5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703
1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one
CID 103448187

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one (CID 103450416) is 1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one is COC(C)(C)CCC(=O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one?
The InChIKey is CUCNAPXFKVSWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(2,16-3)11-10-13(15)12-8-6-4-5-7-9-12/h8H,4-7,9-11H2,1-3H3.
What are the key properties of 1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one?
1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one is sourced from PubChem (CID 103450416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).