6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one

C13H16O2 — CID 146179008

IUPAC6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one
SMILESCOc1cccc(C2CCCC2)cc1=O
InChIInChI=1S/C13H16O2/c1-15-13-8-4-7-11(9-12(13)14)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3
InChIKeyUVAVANKRZWEGKL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.71
Rot. Bonds2

About 6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one

6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one (PubChem CID 146179008) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one
PubChem CID146179008
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one
SMILESCOc1cccc(C2CCCC2)cc1=O
InChIInChI=1S/C13H16O2/c1-15-13-8-4-7-11(9-12(13)14)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3
InChIKeyUVAVANKRZWEGKL-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22019641

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one (CID 146179008) is 6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one is COc1cccc(C2CCCC2)cc1=O.
What is the InChIKey of 6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one?
The InChIKey is UVAVANKRZWEGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-13-8-4-7-11(9-12(13)14)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one?
6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 146179008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).