2,2-dipropyl-3H-pyran-6-one

C11H18O2 — CID 16754293

IUPAC2,2-dipropyl-3H-pyran-6-one
SMILESCCCC1(CCC)CC=CC(=O)O1
InChIInChI=1S/C11H18O2/c1-3-7-11(8-4-2)9-5-6-10(12)13-11/h5-6H,3-4,7-9H2,1-2H3
InChIKeyKZOOKTSXRBCHET-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds4

About 2,2-dipropyl-3H-pyran-6-one

2,2-dipropyl-3H-pyran-6-one (PubChem CID 16754293) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,2-dipropyl-3H-pyran-6-one.

Molecular Properties

Compound Name2,2-dipropyl-3H-pyran-6-one
PubChem CID16754293
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,2-dipropyl-3H-pyran-6-one
SMILESCCCC1(CCC)CC=CC(=O)O1
InChIInChI=1S/C11H18O2/c1-3-7-11(8-4-2)9-5-6-10(12)13-11/h5-6H,3-4,7-9H2,1-2H3
InChIKeyKZOOKTSXRBCHET-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one
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CID 21668635
(E)-Ethyl 3-cyclohexylacrylate
CID 5358357
(5R)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 11586873
(5S)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 162856502
Ethyl (Z)-3-cyclohexylacrylate
CID 5358359
1-Oxaspiro(4.5)dec-3-en-2-one
CID 642952
Methyl (2E)-3-cyclohexylprop-2-enoate
CID 5355239
tert-butyl (E)-3-cyclohexyl-2-fluoroprop-2-enoate
CID 176421970
Agn-PC-03E5J0
CID 11126831
2-(3-Methylbutyl)-2,3-dihydropyran-6-one
CID 135020461
methyl (Z)-3-cyclohexylprop-2-enoate
CID 5786501

Frequently Asked Questions

What is the IUPAC name of 2,2-dipropyl-3H-pyran-6-one?
The IUPAC name of 2,2-dipropyl-3H-pyran-6-one (CID 16754293) is 2,2-dipropyl-3H-pyran-6-one.
What is the SMILES notation for 2,2-dipropyl-3H-pyran-6-one?
The canonical SMILES for 2,2-dipropyl-3H-pyran-6-one is CCCC1(CCC)CC=CC(=O)O1.
What is the InChIKey of 2,2-dipropyl-3H-pyran-6-one?
The InChIKey is KZOOKTSXRBCHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-7-11(8-4-2)9-5-6-10(12)13-11/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 2,2-dipropyl-3H-pyran-6-one?
2,2-dipropyl-3H-pyran-6-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipropyl-3H-pyran-6-one is sourced from PubChem (CID 16754293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).