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

C10H18O3 — CID 134890954

IUPAC2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one
SMILESCCCC(C)C(=O)C1(C)OCCO1
InChIInChI=1S/C10H18O3/c1-4-5-8(2)9(11)10(3)12-6-7-13-10/h8H,4-7H2,1-3H3
InChIKeyQLVROXDLDLDTGM-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds4

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

2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one (PubChem CID 134890954) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one
PubChem CID134890954
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one
SMILESCCCC(C)C(=O)C1(C)OCCO1
InChIInChI=1S/C10H18O3/c1-4-5-8(2)9(11)10(3)12-6-7-13-10/h8H,4-7H2,1-3H3
InChIKeyQLVROXDLDLDTGM-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
1-Pentanone, 1-(2-methyl-1,3-dioxolan-2-yl)-
CID 12296891
2-Methyl-1-(2-methyl-1,3-dioxolan-2-yl)butan-1-one
CID 12296894
1-[(4S,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]pentan-1-one
CID 49780958
2,2-Dimethoxy-4-methylheptan-3-one
CID 134890942
4-Methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-3-one
CID 13486070
3-Methyl-4-(2-methyl-1,3-dioxolan-2-yl)butan-2-one
CID 22982773
1-(2-Cyclohexyl-1,3-dioxolan-2-yl)propan-1-one
CID 57111795
1-[(4S,5R)-2,2-dimethyl-5-[(2S)-3-methylbutan-2-yl]-1,3-dioxolan-4-yl]ethanone
CID 59163728
(5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one
CID 59696747
1-(5,8-Dioxaspiro[3.4]octan-2-yl)propan-1-one
CID 89701363
5-(1,3-Dioxolan-2-yl)heptan-2-one
CID 89751337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one?
The IUPAC name of 2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one (CID 134890954) is 2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one?
The canonical SMILES for 2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one is CCCC(C)C(=O)C1(C)OCCO1.
What is the InChIKey of 2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one?
The InChIKey is QLVROXDLDLDTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-5-8(2)9(11)10(3)12-6-7-13-10/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one?
2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-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 2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one is sourced from PubChem (CID 134890954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).