5-ethenyl-2-methoxycyclohept-4-en-1-one

C10H14O2 — CID 11286669

IUPAC5-ethenyl-2-methoxycyclohept-4-en-1-one
SMILESC=CC1=CCC(OC)C(=O)CC1
InChIInChI=1S/C10H14O2/c1-3-8-4-6-9(11)10(12-2)7-5-8/h3,5,10H,1,4,6-7H2,2H3
InChIKeyRYPRHDUGLALDCZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.87
Rot. Bonds2

About 5-ethenyl-2-methoxycyclohept-4-en-1-one

5-ethenyl-2-methoxycyclohept-4-en-1-one (PubChem CID 11286669) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-ethenyl-2-methoxycyclohept-4-en-1-one.

Molecular Properties

Compound Name5-ethenyl-2-methoxycyclohept-4-en-1-one
PubChem CID11286669
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-ethenyl-2-methoxycyclohept-4-en-1-one
SMILESC=CC1=CCC(OC)C(=O)CC1
InChIInChI=1S/C10H14O2/c1-3-8-4-6-9(11)10(12-2)7-5-8/h3,5,10H,1,4,6-7H2,2H3
InChIKeyRYPRHDUGLALDCZ-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20071260
2-ethoxy-3,6-dihydro-2H-azulen-1-one
CID 15001597
(4Z)-8-methoxycyclooct-4-en-1-one
CID 101173369
12-Methoxycyclododeca-4,8-dien-1-one
CID 54397025
1-Methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one
CID 67419071
1-Cyclopenta-2,4-dien-1-yl-1-methoxy-5-methylhexan-2-one
CID 67419336
1-Cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one
CID 67421038
1-Methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one
CID 67428932
1-Cyclohexa-1,3-dien-1-yl-2-methoxyethanone
CID 89384066
1-Methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)pentan-2-one
CID 89587523
2-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 141127925
6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-one
CID 144849140

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methoxycyclohept-4-en-1-one?
The IUPAC name of 5-ethenyl-2-methoxycyclohept-4-en-1-one (CID 11286669) is 5-ethenyl-2-methoxycyclohept-4-en-1-one.
What is the SMILES notation for 5-ethenyl-2-methoxycyclohept-4-en-1-one?
The canonical SMILES for 5-ethenyl-2-methoxycyclohept-4-en-1-one is C=CC1=CCC(OC)C(=O)CC1.
What is the InChIKey of 5-ethenyl-2-methoxycyclohept-4-en-1-one?
The InChIKey is RYPRHDUGLALDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-8-4-6-9(11)10(12-2)7-5-8/h3,5,10H,1,4,6-7H2,2H3.
What are the key properties of 5-ethenyl-2-methoxycyclohept-4-en-1-one?
5-ethenyl-2-methoxycyclohept-4-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methoxycyclohept-4-en-1-one is sourced from PubChem (CID 11286669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).