2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid

C10H16O3 — CID 102639762

IUPAC2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid
SMILESC=CC(C)(CC1CCCO1)C(=O)O
InChIInChI=1S/C10H16O3/c1-3-10(2,9(11)12)7-8-5-4-6-13-8/h3,8H,1,4-7H2,2H3,(H,11,12)
InChIKeyLZKUWEOXYPNOPA-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.83
Rot. Bonds4

About 2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid

2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid (PubChem CID 102639762) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid
PubChem CID102639762
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid
SMILESC=CC(C)(CC1CCCO1)C(=O)O
InChIInChI=1S/C10H16O3/c1-3-10(2,9(11)12)7-8-5-4-6-13-8/h3,8H,1,4-7H2,2H3,(H,11,12)
InChIKeyLZKUWEOXYPNOPA-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

(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
3-(cyclopropylamino)-2-methyl-3-oxo-2-(oxolan-2-ylmethyl)propanoic acid
CID 114900280
2-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 106487285
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
CID 60990995
2-methyl-2-[3-(oxolan-2-yl)propylsulfinyl]propanoic acid
CID 81227541
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
2-(3-chloro-2,2-dimethylpropyl)oxolane
CID 66059944

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid?
The IUPAC name of 2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid (CID 102639762) is 2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid.
What is the SMILES notation for 2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid?
The canonical SMILES for 2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid is C=CC(C)(CC1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid?
The InChIKey is LZKUWEOXYPNOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-10(2,9(11)12)7-8-5-4-6-13-8/h3,8H,1,4-7H2,2H3,(H,11,12).
What are the key properties of 2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid?
2-methyl-2-(oxolan-2-ylmethyl)but-3-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-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid is sourced from PubChem (CID 102639762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).