2-(2-methyloxolan-2-yl)pent-4-enoic acid

C10H16O3 — CID 70658478

IUPAC2-(2-methyloxolan-2-yl)pent-4-enoic acid
SMILESC=CCC(C(=O)O)C1(C)CCCO1
InChIInChI=1S/C10H16O3/c1-3-5-8(9(11)12)10(2)6-4-7-13-10/h3,8H,1,4-7H2,2H3,(H,11,12)
InChIKeyBWIFAYUCNAVADR-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.83
Rot. Bonds4

About 2-(2-methyloxolan-2-yl)pent-4-enoic acid

2-(2-methyloxolan-2-yl)pent-4-enoic acid (PubChem CID 70658478) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(2-methyloxolan-2-yl)pent-4-enoic acid.

Molecular Properties

Compound Name2-(2-methyloxolan-2-yl)pent-4-enoic acid
PubChem CID70658478
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(2-methyloxolan-2-yl)pent-4-enoic acid
SMILESC=CCC(C(=O)O)C1(C)CCCO1
InChIInChI=1S/C10H16O3/c1-3-5-8(9(11)12)10(2)6-4-7-13-10/h3,8H,1,4-7H2,2H3,(H,11,12)
InChIKeyBWIFAYUCNAVADR-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1,3-dioxolan-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one
CID 70658479
5-(1-carboxybut-3-enyl)tetraoxolane-5-carboxylic acid
CID 88682902
2-(2,4,5-trimethyl-1,3-dithiolan-2-yl)pent-4-enoic acid
CID 134101653
2-(2-methoxy-1-methylcyclohex-2-en-1-yl)pent-4-enoic acid
CID 20549585
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
(1S)-1-(3-methyl-1,5-dioxaspiro[5.5]undecan-3-yl)but-3-en-1-ol
CID 10879257
2-methylidene-3-[(2-methyloxiran-2-yl)methyl]hex-5-enoic acid
CID 23506355
2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid
CID 83040810
2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enal
CID 89008866
1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol
CID 80683944
2,5-dimethyloct-7-enoic acid
CID 155168749

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-2-yl)pent-4-enoic acid?
The IUPAC name of 2-(2-methyloxolan-2-yl)pent-4-enoic acid (CID 70658478) is 2-(2-methyloxolan-2-yl)pent-4-enoic acid.
What is the SMILES notation for 2-(2-methyloxolan-2-yl)pent-4-enoic acid?
The canonical SMILES for 2-(2-methyloxolan-2-yl)pent-4-enoic acid is C=CCC(C(=O)O)C1(C)CCCO1.
What is the InChIKey of 2-(2-methyloxolan-2-yl)pent-4-enoic acid?
The InChIKey is BWIFAYUCNAVADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-8(9(11)12)10(2)6-4-7-13-10/h3,8H,1,4-7H2,2H3,(H,11,12).
What are the key properties of 2-(2-methyloxolan-2-yl)pent-4-enoic acid?
2-(2-methyloxolan-2-yl)pent-4-enoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-2-yl)pent-4-enoic acid is sourced from PubChem (CID 70658478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).