2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid

C10H18O4 — CID 66776190

IUPAC2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid
SMILESCCCC1(C(CC)C(=O)O)OCCO1
InChIInChI=1S/C10H18O4/c1-3-5-10(13-6-7-14-10)8(4-2)9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyPVIQNZSOWVQVPE-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.64
Rot. Bonds5

About 2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid

2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid (PubChem CID 66776190) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid
PubChem CID66776190
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid
SMILESCCCC1(C(CC)C(=O)O)OCCO1
InChIInChI=1S/C10H18O4/c1-3-5-10(13-6-7-14-10)8(4-2)9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyPVIQNZSOWVQVPE-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-6-carboxylic acid
CID 322629
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid
CID 6398860
Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 336004
1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester
CID 175122
1,4-Dioxaspiro[4.4]nonane-6-carboxylic acid
CID 13392615
2-(2-nonyl-1,3-dioxolan-2-yl)acetic Acid
CID 11288385
2-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
CID 19019562
2-(2-Methyl-1,3-dioxolan-2-yl)butanoic acid
CID 58985496
2-(2-Propyl-1,3-dioxolan-2-yl)acetic acid
CID 59537270
2-[2-(4-Methyl-5-oxohexyl)-1,3-dioxolan-2-yl]acetic acid
CID 135038624
(2-Ethyl-2-methyl-1,3 dioxolan-4-yl) methyl hexanoate
CID 154573569
(3S)-5-(1,3-dioxolan-2-yl)-3-methylpentanoic acid
CID 11819809

Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid?
The IUPAC name of 2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid (CID 66776190) is 2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid.
What is the SMILES notation for 2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid?
The canonical SMILES for 2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid is CCCC1(C(CC)C(=O)O)OCCO1.
What is the InChIKey of 2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid?
The InChIKey is PVIQNZSOWVQVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-5-10(13-6-7-14-10)8(4-2)9(11)12/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-propyl-1,3-dioxolan-2-yl)butanoic acid?
2-(2-propyl-1,3-dioxolan-2-yl)butanoic 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-(2-propyl-1,3-dioxolan-2-yl)butanoic acid is sourced from PubChem (CID 66776190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).