4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid

C10H18O4 — CID 69443154

IUPAC4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)C1(C)OCCO1
InChIInChI=1S/C10H18O4/c1-7(2)6-8(9(11)12)10(3)13-4-5-14-10/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyXYNUAJGPIKXRST-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.50
Rot. Bonds4

About 4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid

4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid (PubChem CID 69443154) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
PubChem CID69443154
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)C1(C)OCCO1
InChIInChI=1S/C10H18O4/c1-7(2)6-8(9(11)12)10(3)13-4-5-14-10/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyXYNUAJGPIKXRST-UHFFFAOYSA-N
XLogP1.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.4]nonane-6-carboxylic acid
CID 13392615
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 12948748
2-(2-Methyl-1,3-dioxolan-2-yl)butanoic acid
CID 58985496
Ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate
CID 14435894
methyl (2S,3S,5R)-5-methoxy-2,5-dimethyloxolane-3-carboxylate
CID 134900732
2-[2-(4-Methyl-5-oxohexyl)-1,3-dioxolan-2-yl]acetic acid
CID 135038624
(3S)-5-(1,3-dioxolan-2-yl)-3-methylpentanoic acid
CID 11819809
Diethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
CID 131876842
Ethyl 1,4-dioxaspiro[4.4]nonane-6-carboxylate
CID 10536021
(2-Isopropyl-[1,3]dioxolan-2-yl)-acetic acid ethyl ester
CID 10560027
Methyl 2-(2-isopropyl-1,3-dioxolan-2-yl)acetate
CID 13085712
2-(2-Propan-2-yl-1,3-dioxolan-2-yl)acetic acid
CID 13085717

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid (CID 69443154) is 4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid is CC(C)CC(C(=O)O)C1(C)OCCO1.
What is the InChIKey of 4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
The InChIKey is XYNUAJGPIKXRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(2)6-8(9(11)12)10(3)13-4-5-14-10/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid is sourced from PubChem (CID 69443154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).