5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one

C11H20O3 — CID 13040590

IUPAC5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one
SMILESCC(C)CC(=O)CCC1(C)OCCO1
InChIInChI=1S/C11H20O3/c1-9(2)8-10(12)4-5-11(3)13-6-7-14-11/h9H,4-8H2,1-3H3
InChIKeyLZVRIHLPBIQTOB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds5

About 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one

5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one (PubChem CID 13040590) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one.

Molecular Properties

Compound Name5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one
PubChem CID13040590
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one
SMILESCC(C)CC(=O)CCC1(C)OCCO1
InChIInChI=1S/C11H20O3/c1-9(2)8-10(12)4-5-11(3)13-6-7-14-11/h9H,4-8H2,1-3H3
InChIKeyLZVRIHLPBIQTOB-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-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

8-(2-Methyl-1,3-dioxolan-2-yl)-7-tetradecanone
CID 13600696
4-(2-Ethyl-1,3-dioxolan-2-yl)pentan-2-one
CID 10655154
3-(2-(2-Methyl-1,3-dioxolan-2-yl)ethyl)octan-2-one
CID 25062353
7-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylheptan-3-one
CID 11791366
3-(1,3-Dioxolan-2-ylmethyl)octane-2,7-dione
CID 14732298
1-(1,4-Dioxaspiro[4.4]nonan-9-yl)butan-2-one
CID 15122653
1,4-Dioxaspiro[4.11]hexadecane-7-carbaldehyde
CID 24976496
1-[(4S,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]pentan-1-one
CID 49780958
1-(2-Ethyl-1,3-dioxolan-2-yl)-5-methylhexan-3-one
CID 134895321
5-Methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one
CID 134895324
5-Methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one
CID 134895385
8-(2-Propyl-1,3-dioxolan-2-yl)tetradecan-7-one
CID 134903231

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one?
The IUPAC name of 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one (CID 13040590) is 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one.
What is the SMILES notation for 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one?
The canonical SMILES for 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one is CC(C)CC(=O)CCC1(C)OCCO1.
What is the InChIKey of 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one?
The InChIKey is LZVRIHLPBIQTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)8-10(12)4-5-11(3)13-6-7-14-11/h9H,4-8H2,1-3H3.
What are the key properties of 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one?
5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one has a molecular weight of 200.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-one is sourced from PubChem (CID 13040590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).