(3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one

C9H16O2 — CID 3085865

IUPAC(3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@@H]1C[C@@H](C)OC1=O
InChIInChI=1S/C9H16O2/c1-6(2)4-8-5-7(3)11-9(8)10/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyLOSCWWBVSMNURE-HTQZYQBOSA-N
MW156.22 g/mol
LogP1.98
Rot. Bonds2

About (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one

(3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one (PubChem CID 3085865) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one
PubChem CID3085865
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@@H]1C[C@@H](C)OC1=O
InChIInChI=1S/C9H16O2/c1-6(2)4-8-5-7(3)11-9(8)10/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyLOSCWWBVSMNURE-HTQZYQBOSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propan-2-yl 2-ethylhexanoate
CID 106701
5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
alpha-Hexyl-gamma-butyrolactone
CID 86736
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-
CID 11084123
2(3H)-Furanone, 3-heptyldihydro-
CID 102914
3-Butyldihydrofuran-2(3H)-one
CID 86852
2(3H)-Furanone, dihydro-3-pentyl-
CID 559675
5-Butyl-4-methyldihydro-2(3H)-furanone, cis-(-)-
CID 11094871

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The IUPAC name of (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one (CID 3085865) is (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one is CC(C)C[C@@H]1C[C@@H](C)OC1=O.
What is the InChIKey of (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The InChIKey is LOSCWWBVSMNURE-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)4-8-5-7(3)11-9(8)10/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one?
(3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-3-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 3085865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).