2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid

C10H16O4 — CID 10899640

IUPAC2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid
SMILESC=CCCCC1(CC(=O)O)OCCO1
InChIInChI=1S/C10H16O4/c1-2-3-4-5-10(8-9(11)12)13-6-7-14-10/h2H,1,3-8H2,(H,11,12)
InChIKeyWHMRCWKQUHLQLF-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.56
Rot. Bonds6

About 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid

2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid (PubChem CID 10899640) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid
PubChem CID10899640
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid
SMILESC=CCCCC1(CC(=O)O)OCCO1
InChIInChI=1S/C10H16O4/c1-2-3-4-5-10(8-9(11)12)13-6-7-14-10/h2H,1,3-8H2,(H,11,12)
InChIKeyWHMRCWKQUHLQLF-UHFFFAOYSA-N
XLogP1.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 11128865
[(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 11807142
Ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate
CID 14545747
2-(2-But-3-enyl-1,3-dioxolan-2-yl)acetic acid
CID 14545748
Methyl 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 85667171
(2-Oxo-1,3-dioxolan-4-yl)methyl undec-10-enoate
CID 101555593
2-Hydroxyethyl 3-hydroxynon-8-enoate
CID 161936261
[(2R,3S,4S)-2,3,4-trihydroxyoxolan-2-yl]methyl 3-oxooct-7-enoate
CID 10541336
[(2R,3S,4R)-2,3,4-trihydroxyoxolan-2-yl]methyl 3-oxodec-9-enoate
CID 10615312
(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 11412982
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl dec-9-enoate
CID 12102342
Tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate
CID 23584752

Frequently Asked Questions

What is the IUPAC name of 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid?
The IUPAC name of 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid (CID 10899640) is 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid?
The canonical SMILES for 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid is C=CCCCC1(CC(=O)O)OCCO1.
What is the InChIKey of 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid?
The InChIKey is WHMRCWKQUHLQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-3-4-5-10(8-9(11)12)13-6-7-14-10/h2H,1,3-8H2,(H,11,12).
What are the key properties of 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid?
2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid has a molecular weight of 200.23 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetic acid is sourced from PubChem (CID 10899640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).