4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one

C10H18O3 — CID 13486070

IUPAC4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one
SMILESCC(C)C(=O)CCC1(C)OCCO1
InChIInChI=1S/C10H18O3/c1-8(2)9(11)4-5-10(3)12-6-7-13-10/h8H,4-7H2,1-3H3
InChIKeyRBFYBLFGCOYDGX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds4

About 4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one

4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one (PubChem CID 13486070) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one
PubChem CID13486070
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one
SMILESCC(C)C(=O)CCC1(C)OCCO1
InChIInChI=1S/C10H18O3/c1-8(2)9(11)4-5-10(3)12-6-7-13-10/h8H,4-7H2,1-3H3
InChIKeyRBFYBLFGCOYDGX-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Ethyl-1,3-dioxolan-2-yl)pentan-2-one
CID 10655154
5-Methyl-1-(2-methyl-1,3-dioxolan-2-yl)-3-hexanone
CID 13040590
4-(2,2,5,5-Tetramethyl-1,3-dioxolan-4-yl)butan-2-one
CID 13967694
2-Methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one
CID 134890954
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
5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylhexan-3-one
CID 146020070
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-5-methylhexan-3-one
CID 11435846
3-[3-(2-Methyl-1,3-dioxolan-2-yl)propyl]cyclohexan-1-one
CID 14689320
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylpentan-3-one
CID 145516166
4-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-one
CID 2724610

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one?
The IUPAC name of 4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one (CID 13486070) is 4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one?
The canonical SMILES for 4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one is CC(C)C(=O)CCC1(C)OCCO1.
What is the InChIKey of 4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one?
The InChIKey is RBFYBLFGCOYDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)9(11)4-5-10(3)12-6-7-13-10/h8H,4-7H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one?
4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one has a molecular weight of 186.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one is sourced from PubChem (CID 13486070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).