1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one

C12H20O2 — CID 106652033

IUPAC1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)C1=CCCCCC1
InChIInChI=1S/C12H20O2/c1-12(2,14-3)11(13)10-8-6-4-5-7-9-10/h8H,4-7,9H2,1-3H3
InChIKeyCEPDHACVTLQITI-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.87
Rot. Bonds3

About 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one

1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 106652033) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID106652033
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)C1=CCCCCC1
InChIInChI=1S/C12H20O2/c1-12(2,14-3)11(13)10-8-6-4-5-7-9-10/h8H,4-7,9H2,1-3H3
InChIKeyCEPDHACVTLQITI-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Primin
CID 84800
2-Methoxy-6-undecyl-1,4-benzoquinone
CID 44559530
2,5-Cyclohexadiene-1,4-dione, 2-heptyl-6-methoxy-
CID 183882
6-Dodecyl-2-methoxy-1,4-benzoquinone
CID 193384
2-Decyl-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 10084963
5-Heptyl-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183878
2-Methoxy-6-nonyl-1,4-benzoquinone
CID 131309
1-(1-Cyclohexenyl)-2-ethoxyprop-2-en-1-one
CID 24975460
1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
2-Methoxy-5-methyl-6-(13-methyltetradecyl)-1,4-benzoquinone
CID 177860815
2-(7-t-Butoxy-heptyl)-5-methoxy-cyclopent-2-enone
CID 545472
3-(3-Methoxy-3-methylbutyl)-5-methylcyclohex-5-en-1-one
CID 10899886

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one (CID 106652033) is 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is CEPDHACVTLQITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(2,14-3)11(13)10-8-6-4-5-7-9-10/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one?
1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 106652033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).