4-methoxycyclohept-2-en-1-one

C8H12O2 — CID 139985493

IUPAC4-methoxycyclohept-2-en-1-one
SMILESCOC1C=CC(=O)CCC1
InChIInChI=1S/C8H12O2/c1-10-8-4-2-3-7(9)5-6-8/h5-6,8H,2-4H2,1H3
InChIKeyZEPSSNOJQGAZQO-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds1

About 4-methoxycyclohept-2-en-1-one

4-methoxycyclohept-2-en-1-one (PubChem CID 139985493) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-methoxycyclohept-2-en-1-one.

Molecular Properties

Compound Name4-methoxycyclohept-2-en-1-one
PubChem CID139985493
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-methoxycyclohept-2-en-1-one
SMILESCOC1C=CC(=O)CCC1
InChIInChI=1S/C8H12O2/c1-10-8-4-2-3-7(9)5-6-8/h5-6,8H,2-4H2,1H3
InChIKeyZEPSSNOJQGAZQO-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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Related Compounds

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2-(4-Oxopentyl)-2,3-dihydropyran-6-one
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(4-Oxocyclohept-2-en-1-yl) acetate
CID 14379679
(2S)-2-(4-oxopentyl)-2,3-dihydropyran-6-one
CID 101555883
(E)-5-methoxydec-3-en-2-one
CID 87292142
5-Methoxydec-3-en-2-one
CID 90886930
1-(8-Oxabicyclo[3.2.1]octa-2,6-dien-3-yl)propan-2-one
CID 91375958
4-Ethoxycyclohept-2-en-1-one
CID 139985475
4-(Methoxymethoxy)cyclohept-2-en-1-one
CID 13550184
[(E)-9-oxotetradec-7-en-6-yl] acetate
CID 16724279
(E)-9-methoxytetradec-7-en-6-one
CID 16724284
(Z)-9-methoxytetradec-7-en-6-one
CID 16724285

Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclohept-2-en-1-one?
The IUPAC name of 4-methoxycyclohept-2-en-1-one (CID 139985493) is 4-methoxycyclohept-2-en-1-one.
What is the SMILES notation for 4-methoxycyclohept-2-en-1-one?
The canonical SMILES for 4-methoxycyclohept-2-en-1-one is COC1C=CC(=O)CCC1.
What is the InChIKey of 4-methoxycyclohept-2-en-1-one?
The InChIKey is ZEPSSNOJQGAZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-8-4-2-3-7(9)5-6-8/h5-6,8H,2-4H2,1H3.
What are the key properties of 4-methoxycyclohept-2-en-1-one?
4-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 4-methoxycyclohept-2-en-1-one is sourced from PubChem (CID 139985493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).