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

C13H24O3 — CID 134895324

IUPAC5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one
SMILESCC(C)CC(=O)CCC1(C(C)C)OCCO1
InChIInChI=1S/C13H24O3/c1-10(2)9-12(14)5-6-13(11(3)4)15-7-8-16-13/h10-11H,5-9H2,1-4H3
InChIKeySBGKAVXZNWTODT-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.78
Rot. Bonds6

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

5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one (PubChem CID 134895324) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one.

Molecular Properties

Compound Name5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one
PubChem CID134895324
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one
SMILESCC(C)CC(=O)CCC1(C(C)C)OCCO1
InChIInChI=1S/C13H24O3/c1-10(2)9-12(14)5-6-13(11(3)4)15-7-8-16-13/h10-11H,5-9H2,1-4H3
InChIKeySBGKAVXZNWTODT-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
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
4-(2,2,5,5-Tetramethyl-1,3-dioxolan-4-yl)butan-2-one
CID 13967694
3-(1,3-Dioxolan-2-ylmethyl)octane-2,7-dione
CID 14732298
2-(3,3-Ethylenedioxypropyl)cyclododecanone
CID 14975046
3-[2-Methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one
CID 15122652
1-(1,4-Dioxaspiro[4.4]nonan-9-yl)butan-2-one
CID 15122653
1,4-Dioxaspiro[4.11]hexadecane-7-carbaldehyde
CID 24976496

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one?
The IUPAC name of 5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one (CID 134895324) is 5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one.
What is the SMILES notation for 5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one?
The canonical SMILES for 5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one is CC(C)CC(=O)CCC1(C(C)C)OCCO1.
What is the InChIKey of 5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one?
The InChIKey is SBGKAVXZNWTODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-10(2)9-12(14)5-6-13(11(3)4)15-7-8-16-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one?
5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one has a molecular weight of 228.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-propan-2-yl-1,3-dioxolan-2-yl)hexan-3-one is sourced from PubChem (CID 134895324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).