4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one

C13H20O2 — CID 142081198

IUPAC4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one
SMILESCCCC(C)C1=C(C)C(=C(C)C)OC1=O
InChIInChI=1S/C13H20O2/c1-6-7-9(4)11-10(5)12(8(2)3)15-13(11)14/h9H,6-7H2,1-5H3
InChIKeyBBHSXMWDDJFDNR-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.59
Rot. Bonds3

About 4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one

4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one (PubChem CID 142081198) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one.

Molecular Properties

Compound Name4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one
PubChem CID142081198
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one
SMILESCCCC(C)C1=C(C)C(=C(C)C)OC1=O
InChIInChI=1S/C13H20O2/c1-6-7-9(4)11-10(5)12(8(2)3)15-13(11)14/h9H,6-7H2,1-5H3
InChIKeyBBHSXMWDDJFDNR-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Conexipyrone C
CID 146682346
Nipyrone B
CID 146682968
5-Methyl-3-(2-methylbutyl)-6-pentan-2-ylpyran-2-one
CID 156581621
2(5H)-Furanone, 4,5,5-trimethyl-3-(3-methyl-2-methylenebutyl)-
CID 536585
4-Hydroxy-3,5-dimethyl-6-(3-methylpentyl)pyran-2-one
CID 169492756
Ethyl 2-ethoxycyclopent-1-ene-1-carboxylate
CID 12448915
tert-butyl 5-methyl-2-methylidene-3-propyl-3H-furan-4-carboxylate
CID 12424583
(3z)-4,5,6,7-Tetrahydro-5-methyl-3-pentylideneisobenzofuran-1(3h)-one
CID 129868703
(5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one
CID 134855627
Methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate
CID 135049676
methyl 1,4-dimethyl-3-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-6-carboxylate
CID 135080197
Tert-butyl 2-fluoro-3-methyl-4-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
CID 101910760

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one?
The IUPAC name of 4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one (CID 142081198) is 4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one.
What is the SMILES notation for 4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one?
The canonical SMILES for 4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one is CCCC(C)C1=C(C)C(=C(C)C)OC1=O.
What is the InChIKey of 4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one?
The InChIKey is BBHSXMWDDJFDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-6-7-9(4)11-10(5)12(8(2)3)15-13(11)14/h9H,6-7H2,1-5H3.
What are the key properties of 4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one?
4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one has a molecular weight of 208.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pentan-2-yl-5-propan-2-ylidenefuran-2-one is sourced from PubChem (CID 142081198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).