2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane

C12H22O2 — CID 177367587

IUPAC2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane
SMILESC=C(C)CC(C)(C(=C)C)C(=O)O.CC
InChIInChI=1S/C10H16O2.C2H6/c1-7(2)6-10(5,8(3)4)9(11)12;1-2/h1,3,6H2,2,4-5H3,(H,11,12);1-2H3
InChIKeyOVTIDFNITNOMQP-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.65
Rot. Bonds4

About 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane

2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane (PubChem CID 177367587) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane.

Molecular Properties

Compound Name2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane
PubChem CID177367587
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane
SMILESC=C(C)CC(C)(C(=C)C)C(=O)O.CC
InChIInChI=1S/C10H16O2.C2H6/c1-7(2)6-10(5,8(3)4)9(11)12;1-2/h1,3,6H2,2,4-5H3,(H,11,12);1-2H3
InChIKeyOVTIDFNITNOMQP-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dimethyl-2-prop-1-en-2-yloct-6-enoic acid
CID 175178863
3,3,5-trimethylhex-5-en-2-one
CID 22159646
2-(bromomethyl)-2-methyl-3-oxobutanoic acid
CID 154609627
(2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid
CID 62705599
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
propane;2,4,4-trimethylpent-1-ene
CID 145388380
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
CID 160601103
(2R)-2-isocyano-4-methyl-2-(2-oxopropyl)pent-4-enoic acid
CID 58130699
methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate
CID 177459187
2,2,4-trimethylpent-4-enyl acetate
CID 15738243
2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane?
The IUPAC name of 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane (CID 177367587) is 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane.
What is the SMILES notation for 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane?
The canonical SMILES for 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane is C=C(C)CC(C)(C(=C)C)C(=O)O.CC.
What is the InChIKey of 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane?
The InChIKey is OVTIDFNITNOMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C2H6/c1-7(2)6-10(5,8(3)4)9(11)12;1-2/h1,3,6H2,2,4-5H3,(H,11,12);1-2H3.
What are the key properties of 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane?
2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane has a molecular weight of 198.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-prop-1-en-2-ylpent-4-enoic acid;ethane is sourced from PubChem (CID 177367587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).