4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one

C9H14O2 — CID 12605902

IUPAC4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)OC(C(C)C)C1
InChIInChI=1S/C9H14O2/c1-6(2)8-4-7(3)5-9(10)11-8/h5-6,8H,4H2,1-3H3
InChIKeyWXYDLHUTRVOKCZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About 4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one

4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one (PubChem CID 12605902) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one
PubChem CID12605902
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)OC(C(C)C)C1
InChIInChI=1S/C9H14O2/c1-6(2)8-4-7(3)5-9(10)11-8/h5-6,8H,4H2,1-3H3
InChIKeyWXYDLHUTRVOKCZ-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

Carvyl acetate
CID 7335
Carvyl propionate, (+-)-
CID 7336
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Lavandulyl Senecioate
CID 11264867
2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-
CID 6435040
Carvyl acetate, (1S,5S)-
CID 81544
6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
Sinodor
CID 89382
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one
CID 247461
[(6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-4-yl] acetate
CID 10730218

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one?
The IUPAC name of 4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one (CID 12605902) is 4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one?
The canonical SMILES for 4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one is CC1=CC(=O)OC(C(C)C)C1.
What is the InChIKey of 4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one?
The InChIKey is WXYDLHUTRVOKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)8-4-7(3)5-9(10)11-8/h5-6,8H,4H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one?
4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-2,3-dihydropyran-6-one is sourced from PubChem (CID 12605902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).