1-(2,2-dimethyloxan-4-yl)propan-1-one

C10H18O2 — CID 3342537

IUPAC1-(2,2-dimethyloxan-4-yl)propan-1-one
SMILESCCC(=O)C1CCOC(C)(C)C1
InChIInChI=1S/C10H18O2/c1-4-9(11)8-5-6-12-10(2,3)7-8/h8H,4-7H2,1-3H3
InChIKeyGZZHAALQRNEDQO-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds2

About 1-(2,2-dimethyloxan-4-yl)propan-1-one

1-(2,2-dimethyloxan-4-yl)propan-1-one (PubChem CID 3342537) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)propan-1-one
PubChem CID3342537
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(2,2-dimethyloxan-4-yl)propan-1-one
SMILESCCC(=O)C1CCOC(C)(C)C1
InChIInChI=1S/C10H18O2/c1-4-9(11)8-5-6-12-10(2,3)7-8/h8H,4-7H2,1-3H3
InChIKeyGZZHAALQRNEDQO-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethyloxan-4-yl)propan-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

1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone
CID 915167
2,2-dimethyloxane-4-carbonyl cyanide
CID 142887757
1-(4-chlorophenyl)-3-(2,2-dimethyloxan-4-yl)propane-1,3-dione
CID 123222998
2-chloro-1-[(2S,4R)-2-ethyl-2-methyloxan-4-yl]ethanone
CID 911155
(4R)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide
CID 929884
1-[(4S)-2,2-dimethylthian-4-yl]propan-1-one
CID 911670
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235
1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115949002
(4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide
CID 930580
2-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
1-(4-hydroxycyclohexyl)propan-1-one
CID 51039861

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)propan-1-one?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)propan-1-one (CID 3342537) is 1-(2,2-dimethyloxan-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)propan-1-one?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)propan-1-one is CCC(=O)C1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)propan-1-one?
The InChIKey is GZZHAALQRNEDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-9(11)8-5-6-12-10(2,3)7-8/h8H,4-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)propan-1-one?
1-(2,2-dimethyloxan-4-yl)propan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)propan-1-one is sourced from PubChem (CID 3342537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).