(2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one

C10H16O2 — CID 163043046

IUPAC(2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one
SMILESCC(C)CCC1=C[C@@H](C)OC1=O
InChIInChI=1S/C10H16O2/c1-7(2)4-5-9-6-8(3)12-10(9)11/h6-8H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyKQPBMHCJEFMCSN-MRVPVSSYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds3

About (2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one

(2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one (PubChem CID 163043046) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one
PubChem CID163043046
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one
SMILESCC(C)CCC1=C[C@@H](C)OC1=O
InChIInChI=1S/C10H16O2/c1-7(2)4-5-9-6-8(3)12-10(9)11/h6-8H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyKQPBMHCJEFMCSN-MRVPVSSYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5281437
Citronellyl tiglate
CID 6386037
Aristolactone
CID 13821316
Cyclodeca(b)furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS-(3aR*,6E,10E,11aS*))-
CID 6436243
(6Z,10Z)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 5367559
6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 556919
MKN-003a
CID 11075054
(3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 5458201
(3aR,6E,10E,14E,15aS)-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 10040485
Germacra-1(10),11(13)-trien-12-oic acid, 6alpha-hydroxy-, gamma-lactone, (E,E)-
CID 5380858
(4E,8S,9S)-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
CID 155559006
Manshurolide
CID 14527198

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one?
The IUPAC name of (2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one (CID 163043046) is (2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one?
The canonical SMILES for (2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one is CC(C)CCC1=C[C@@H](C)OC1=O.
What is the InChIKey of (2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one?
The InChIKey is KQPBMHCJEFMCSN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)4-5-9-6-8(3)12-10(9)11/h6-8H,4-5H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one?
(2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-(3-methylbutyl)-2H-furan-5-one is sourced from PubChem (CID 163043046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).