(3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one

C9H14O3 — CID 171934941

IUPAC(3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one
SMILESC=C(C)CC[C@H]1C(=O)OC[C@@H]1O
InChIInChI=1S/C9H14O3/c1-6(2)3-4-7-8(10)5-12-9(7)11/h7-8,10H,1,3-5H2,2H3/t7-,8+/m1/s1
InChIKeyFKWSFVNTELTIIY-SFYZADRCSA-N
MW170.21 g/mol
LogP0.88
Rot. Bonds3

About (3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one

(3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one (PubChem CID 171934941) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one
PubChem CID171934941
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one
SMILESC=C(C)CC[C@H]1C(=O)OC[C@@H]1O
InChIInChI=1S/C9H14O3/c1-6(2)3-4-7-8(10)5-12-9(7)11/h7-8,10H,1,3-5H2,2H3/t7-,8+/m1/s1
InChIKeyFKWSFVNTELTIIY-SFYZADRCSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4s,5r)-4-Hydroxy-5-methyl-5-(4-methylpent-3-en-1-yl)dihydrofuran-2(3h)-one
CID 10352705
(4S,5S)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one
CID 10330363
(3R,4R,5S)-3-dodec-11-enyl-4-hydroxy-5-methyloxolan-2-one
CID 163010343
(3S,4R)-3-hexadecyl-4-hydroxy-5-methylideneoxolan-2-one
CID 11046037
(3R,4S,5S)-4-hydroxy-3-methyl-5-(2-methylidenehept-6-ynyl)oxolan-2-one
CID 396103
4-Hydroxy-3-methyl-5-(2-methylenehept-6-ynyl)tetrahydrofuran-2-one
CID 496876
(3R,4S)-3-hexadecyl-4-hydroxy-5-methylideneoxolan-2-one
CID 21773791
(3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one
CID 138966917
(3S,4S,5R)-4-Hydroxy-3-methyl-5-[(2S,3R)-3-methylpent-4-en-2-yl]-4,5-dihydrofuran-2(3H)-one
CID 139075804
(3R,4R,5S)-4-Hydroxy-3-methyl-5-[(2S,3R)-3-methylpent-4-en-2-yl]-4,5-dihydrofuran-2(3H)-one
CID 139077900
(3S,4R,5R)-4-hydroxy-3-icos-1-en-9-yl-5-methyloxolan-2-one
CID 163190092
dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate
CID 15712423

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one?
The IUPAC name of (3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one (CID 171934941) is (3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one.
What is the SMILES notation for (3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one?
The canonical SMILES for (3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one is C=C(C)CC[C@H]1C(=O)OC[C@@H]1O.
What is the InChIKey of (3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one?
The InChIKey is FKWSFVNTELTIIY-SFYZADRCSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(2)3-4-7-8(10)5-12-9(7)11/h7-8,10H,1,3-5H2,2H3/t7-,8+/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one?
(3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one is sourced from PubChem (CID 171934941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).