4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one

C11H20O2 — CID 65330284

IUPAC4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one
SMILESCC(C)(C)CCC(=O)C1CCOC1
InChIInChI=1S/C11H20O2/c1-11(2,3)6-4-10(12)9-5-7-13-8-9/h9H,4-8H2,1-3H3
InChIKeyYJNSLRYGUPWACA-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds3

About 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one

4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one (PubChem CID 65330284) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one
PubChem CID65330284
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one
SMILESCC(C)(C)CCC(=O)C1CCOC1
InChIInChI=1S/C11H20O2/c1-11(2,3)6-4-10(12)9-5-7-13-8-9/h9H,4-8H2,1-3H3
InChIKeyYJNSLRYGUPWACA-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
CID 107138368
1-(oxolan-3-yl)nonan-1-one
CID 65330227
1-(oxolan-3-yl)heptan-1-one
CID 65330226
4-methyl-1-(oxolan-3-yl)pentan-1-one
CID 63563225
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone
CID 104751821
3-methylsulfonyl-1-(oxolan-3-yl)propan-1-one
CID 65329895
1-cycloheptyl-4,4-dimethylpentan-1-one
CID 65399769
2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide
CID 169193843
4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171937984
4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one
CID 65402131
2,2-dimethyl-1-(oxolan-3-yl)butan-1-one
CID 114972062
1-(oxolan-3-yl)oct-7-en-1-one
CID 107008260

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one (CID 65330284) is 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one is CC(C)(C)CCC(=O)C1CCOC1.
What is the InChIKey of 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one?
The InChIKey is YJNSLRYGUPWACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)6-4-10(12)9-5-7-13-8-9/h9H,4-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one?
4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one is sourced from PubChem (CID 65330284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).