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

C13H24O3 — CID 134895385

IUPAC5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one
SMILESCCCC1(CCC(=O)CC(C)C)OCCO1
InChIInChI=1S/C13H24O3/c1-4-6-13(15-8-9-16-13)7-5-12(14)10-11(2)3/h11H,4-10H2,1-3H3
InChIKeyLRMMZUGDAQNMEY-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.92
Rot. Bonds7

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

5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one (PubChem CID 134895385) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one.

Molecular Properties

Compound Name5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one
PubChem CID134895385
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one
SMILESCCCC1(CCC(=O)CC(C)C)OCCO1
InChIInChI=1S/C13H24O3/c1-4-6-13(15-8-9-16-13)7-5-12(14)10-11(2)3/h11H,4-10H2,1-3H3
InChIKeyLRMMZUGDAQNMEY-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{1,4-Dioxaspiro[4.5]decan-6-yl}ethanone
CID 10103861
8-(2-Methyl-1,3-dioxolan-2-yl)-7-tetradecanone
CID 13600696
6-(2,2-Dimethyl-1,3-dioxolan-4-yl)hexan-2-one
CID 69810804
9-(2-Oxopropyl)-1,4-dioxaspiro[4.6]undecan-8-one
CID 135041201
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
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexanone
CID 11183218
7-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylheptan-3-one
CID 11791366
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclopentan-1-one
CID 12452563
3-[3-(1,3-Dioxolan-2-yl)propyl]cycloheptan-1-one
CID 13029105
5-Methyl-1-(2-methyl-1,3-dioxolan-2-yl)-3-hexanone
CID 13040590
2-(2-Methyl-1,3-dioxolan-2-yl)cyclohexanone
CID 13112445

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one?
The IUPAC name of 5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one (CID 134895385) is 5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one.
What is the SMILES notation for 5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one?
The canonical SMILES for 5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one is CCCC1(CCC(=O)CC(C)C)OCCO1.
What is the InChIKey of 5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one?
The InChIKey is LRMMZUGDAQNMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-6-13(15-8-9-16-13)7-5-12(14)10-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one?
5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one has a molecular weight of 228.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-propyl-1,3-dioxolan-2-yl)hexan-3-one is sourced from PubChem (CID 134895385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).