(3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one

C10H18O3 — CID 11745340

IUPAC(3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one
SMILESCC(C)CC[C@H]1C(=O)O[C@@H](C)[C@@H]1O
InChIInChI=1S/C10H18O3/c1-6(2)4-5-8-9(11)7(3)13-10(8)12/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyKBJCRTCKPJQWOP-YIZRAAEISA-N
MW186.25 g/mol
LogP1.35
Rot. Bonds3

About (3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one

(3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one (PubChem CID 11745340) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one
PubChem CID11745340
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one
SMILESCC(C)CC[C@H]1C(=O)O[C@@H](C)[C@@H]1O
InChIInChI=1S/C10H18O3/c1-6(2)4-5-8-9(11)7(3)13-10(8)12/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyKBJCRTCKPJQWOP-YIZRAAEISA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one?
The IUPAC name of (3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one (CID 11745340) is (3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one?
The canonical SMILES for (3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one is CC(C)CC[C@H]1C(=O)O[C@@H](C)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one?
The InChIKey is KBJCRTCKPJQWOP-YIZRAAEISA-N. The full InChI is InChI=1S/C10H18O3/c1-6(2)4-5-8-9(11)7(3)13-10(8)12/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-/m0/s1.
What are the key properties of (3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one?
(3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one is sourced from PubChem (CID 11745340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).