(2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one

C9H14O2 — CID 134967150

IUPAC(2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one
SMILESCC(C)C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C9H14O2/c1-7(2)6-8-4-3-5-9(10)11-8/h3,5,7-8H,4,6H2,1-2H3/t8-/m0/s1
InChIKeyOLMFREJGYCNLOQ-QMMMGPOBSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds2

About (2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one

(2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one (PubChem CID 134967150) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one
PubChem CID134967150
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one
SMILESCC(C)C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C9H14O2/c1-7(2)6-8-4-3-5-9(10)11-8/h3,5,7-8H,4,6H2,1-2H3/t8-/m0/s1
InChIKeyOLMFREJGYCNLOQ-QMMMGPOBSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
2(5H)-Furanone, 5-(1-methylethyl)-
CID 558448
(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one
CID 10678930
6-ethyl-5,6-dihydro-2H-pyran-2-one
CID 12213801
(2S,3S)-2-[(1E,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]-3-methyl-2,3-dihydropyran-6-one
CID 137650531
ethyl (2E)-5,9-dimethyldeca-2,8-dienoate
CID 11075065
5-Butylfuran-2(5H)-one
CID 121779
4-Isopropyl-5,6-dihydro-2h-pyran-2-one
CID 9942166
2-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1S-cis)-
CID 208438
2-But-3-enyl-2,3-dihydropyran-6-one
CID 76321909
Umuravumbolide
CID 11161084
[(1S,4S,5R)-4-acetyloxy-6-methylidene-5-prop-1-en-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate
CID 163189224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one (CID 134967150) is (2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one is CC(C)C[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one?
The InChIKey is OLMFREJGYCNLOQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(2)6-8-4-3-5-9(10)11-8/h3,5,7-8H,4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one?
(2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 134967150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).