6-methoxycyclohept-2-en-1-one

C8H12O2 — CID 130029856

IUPAC6-methoxycyclohept-2-en-1-one
SMILESCOC1CCC=CC(=O)C1
InChIInChI=1S/C8H12O2/c1-10-8-5-3-2-4-7(9)6-8/h2,4,8H,3,5-6H2,1H3
InChIKeyHCUYLQAOEJYTAA-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds1

About 6-methoxycyclohept-2-en-1-one

6-methoxycyclohept-2-en-1-one (PubChem CID 130029856) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-methoxycyclohept-2-en-1-one.

Molecular Properties

Compound Name6-methoxycyclohept-2-en-1-one
PubChem CID130029856
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6-methoxycyclohept-2-en-1-one
SMILESCOC1CCC=CC(=O)C1
InChIInChI=1S/C8H12O2/c1-10-8-5-3-2-4-7(9)6-8/h2,4,8H,3,5-6H2,1H3
InChIKeyHCUYLQAOEJYTAA-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxycyclohept-2-en-1-one?
The IUPAC name of 6-methoxycyclohept-2-en-1-one (CID 130029856) is 6-methoxycyclohept-2-en-1-one.
What is the SMILES notation for 6-methoxycyclohept-2-en-1-one?
The canonical SMILES for 6-methoxycyclohept-2-en-1-one is COC1CCC=CC(=O)C1.
What is the InChIKey of 6-methoxycyclohept-2-en-1-one?
The InChIKey is HCUYLQAOEJYTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-8-5-3-2-4-7(9)6-8/h2,4,8H,3,5-6H2,1H3.
What are the key properties of 6-methoxycyclohept-2-en-1-one?
6-methoxycyclohept-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycyclohept-2-en-1-one is sourced from PubChem (CID 130029856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).