2-(3-methylbutyl)-2,3-dihydropyran-6-one

C10H16O2 — CID 135020461

IUPAC2-(3-methylbutyl)-2,3-dihydropyran-6-one
SMILESCC(C)CCC1CC=CC(=O)O1
InChIInChI=1S/C10H16O2/c1-8(2)6-7-9-4-3-5-10(11)12-9/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyLCILOJLOVZKORS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-methylbutyl)-2,3-dihydropyran-6-one

2-(3-methylbutyl)-2,3-dihydropyran-6-one (PubChem CID 135020461) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(3-methylbutyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-2,3-dihydropyran-6-one
PubChem CID135020461
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(3-methylbutyl)-2,3-dihydropyran-6-one
SMILESCC(C)CCC1CC=CC(=O)O1
InChIInChI=1S/C10H16O2/c1-8(2)6-7-9-4-3-5-10(11)12-9/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyLCILOJLOVZKORS-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(3-methylbutyl)-2,3-dihydropyran-6-one (CID 135020461) is 2-(3-methylbutyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(3-methylbutyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(3-methylbutyl)-2,3-dihydropyran-6-one is CC(C)CCC1CC=CC(=O)O1.
What is the InChIKey of 2-(3-methylbutyl)-2,3-dihydropyran-6-one?
The InChIKey is LCILOJLOVZKORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)6-7-9-4-3-5-10(11)12-9/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-2,3-dihydropyran-6-one?
2-(3-methylbutyl)-2,3-dihydropyran-6-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 135020461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).