(3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one

C10H18O3 — CID 10012657

IUPAC(3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one
SMILESCC(C)C[C@@H](O)[C@@H]1C[C@@H](C)C(=O)O1
InChIInChI=1S/C10H18O3/c1-6(2)4-8(11)9-5-7(3)10(12)13-9/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyJOINRCOGXXPQPT-HLTSFMKQSA-N
MW186.25 g/mol
LogP1.35
Rot. Bonds3

About (3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one

(3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one (PubChem CID 10012657) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one
PubChem CID10012657
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one
SMILESCC(C)C[C@@H](O)[C@@H]1C[C@@H](C)C(=O)O1
InChIInChI=1S/C10H18O3/c1-6(2)4-8(11)9-5-7(3)10(12)13-9/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyJOINRCOGXXPQPT-HLTSFMKQSA-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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Related Compounds

(3S,5R)-5-[(1R)-1,3-dihydroxypropyl]-3-methyloxolan-2-one
CID 130918436
tert-butyl N-[(1S)-3-methyl-1-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate;tert-butyl N-[(1S)-3-methyl-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 158711010
3-methyl-1-(oxiran-2-yl)butan-1-ol
CID 73110178
3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one
CID 21062054
(3R,5S,6S)-6-[(2S)-1-hydroxypropan-2-yl]-3,5-dimethyloxan-2-one
CID 10997748
N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide
CID 59872962
2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 13081518
[(1S,3R)-3-methyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]hept-6-enyl]carbamic acid
CID 154193909
5-hydroxy-3-methyloxolan-2-one
CID 12794198
5-(1,2-dihydroxyethyl)-3-ethyloxolan-2-one
CID 68573722
5-(hydroxymethyl)-3-methyloxolan-2-one
CID 13462626
(3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one
CID 15560245

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one (CID 10012657) is (3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one is CC(C)C[C@@H](O)[C@@H]1C[C@@H](C)C(=O)O1.
What is the InChIKey of (3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one?
The InChIKey is JOINRCOGXXPQPT-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H18O3/c1-6(2)4-8(11)9-5-7(3)10(12)13-9/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one?
(3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-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,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one is sourced from PubChem (CID 10012657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).