3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one

C10H14O2 — CID 166514118

IUPAC3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one
SMILESCC(C)C/C=C/C1=CC(=O)OC1
InChIInChI=1S/C10H14O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h3,5-6,8H,4,7H2,1-2H3/b5-3+
InChIKeyLMFRBMOUZSUWNQ-HWKANZROSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds3

About 3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one

3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one (PubChem CID 166514118) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one
PubChem CID166514118
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one
SMILESCC(C)C/C=C/C1=CC(=O)OC1
InChIInChI=1S/C10H14O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h3,5-6,8H,4,7H2,1-2H3/b5-3+
InChIKeyLMFRBMOUZSUWNQ-HWKANZROSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Placidene C
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(2S,3S)-2-[(1E,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]-3-methyl-2,3-dihydropyran-6-one
CID 137650531
(S,E)-2,5-Dimethyl-4-vinylhexa-2,5-dien-1-yl acetate
CID 91710264
3-[(1Z)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
CID 10953862
3-[(1E)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
CID 10986587
3-Hexenyl 3-methylisocrotonate
CID 6436994
methyl (2E,4E,6S,8E,10E,12S)-6,9,12-trimethyltetradeca-2,4,8,10-tetraenoate
CID 636719
(2E,4E)-5,9-dimethyl-deca-2,4,8-trienoic acid ethyl ester
CID 6272530
ethyl (2E,4E)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 21521927
4-[(Z)-hex-1-enyl]-2-methyl-2H-furan-5-one
CID 67201435
(5R)-5-(1E)-1,3-Butadien-1-yl-3-(1E)-1-propen-1-yl-2(5H)-furanone
CID 10965058

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one?
The IUPAC name of 3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one (CID 166514118) is 3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one?
The canonical SMILES for 3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one is CC(C)C/C=C/C1=CC(=O)OC1.
What is the InChIKey of 3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one?
The InChIKey is LMFRBMOUZSUWNQ-HWKANZROSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h3,5-6,8H,4,7H2,1-2H3/b5-3+.
What are the key properties of 3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one?
3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one has a molecular weight of 166.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-methylpent-1-enyl]-2H-furan-5-one is sourced from PubChem (CID 166514118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).