(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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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).