2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid

C10H18O4 — CID 19019562

IUPAC2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
SMILESCC(CCCC1(C)OCCO1)C(=O)O
InChIInChI=1S/C10H18O4/c1-8(9(11)12)4-3-5-10(2)13-6-7-14-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyZNINYJZWXHOYNY-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.64
Rot. Bonds5

About 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid

2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid (PubChem CID 19019562) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
PubChem CID19019562
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
SMILESCC(CCCC1(C)OCCO1)C(=O)O
InChIInChI=1S/C10H18O4/c1-8(9(11)12)4-3-5-10(2)13-6-7-14-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyZNINYJZWXHOYNY-UHFFFAOYSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.5]decane-7-carboxylic acid
CID 567492
2-(1,4-Dioxaspiro(4.5)decan-8-yl)acetic acid
CID 15101121
Methyl dihydroxy-tetrahydrofuran octadecanoate
CID 129726064
2-[2-(4-Methyl-5-oxohexyl)-1,3-dioxolan-2-yl]acetic acid
CID 135038624
2,2-Dimethyl-5-(2-methyl-[1,3]dioxolan-2-yl)pentanoic acid, methyl ester
CID 560059
8-(2-Methyl-1,3-dioxolan-2-yl)octanoic acid
CID 21591482
methyl (3R)-4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pentanoate
CID 52912814
Methyl 2-[2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]acetate
CID 12511602
Diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate
CID 14272263
5-(2-Methyl-[1,3]dioxolan-2-yl)-pentanoic acid
CID 15453756
2-[(2-Methyl-1,3-dioxolan-2-yl)methyl]icosanoic acid
CID 20219546
2-[2-(2-Methylpropyl)-1,3-dioxolan-2-yl]acetic acid
CID 20766234

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
The IUPAC name of 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid (CID 19019562) is 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
The canonical SMILES for 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid is CC(CCCC1(C)OCCO1)C(=O)O.
What is the InChIKey of 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
The InChIKey is ZNINYJZWXHOYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-8(9(11)12)4-3-5-10(2)13-6-7-14-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid?
2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid is sourced from PubChem (CID 19019562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).