propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate

C12H20O3 — CID 10632336

IUPACpropan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate
SMILESC=C(C)CC(O)(C(=C)C)C(=O)OC(C)C
InChIInChI=1S/C12H20O3/c1-8(2)7-12(14,9(3)4)11(13)15-10(5)6/h10,14H,1,3,7H2,2,4-6H3
InChIKeyYIAFHZMFVJAWCH-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.21
Rot. Bonds5

About propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate

propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate (PubChem CID 10632336) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate
PubChem CID10632336
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namepropan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate
SMILESC=C(C)CC(O)(C(=C)C)C(=O)OC(C)C
InChIInChI=1S/C12H20O3/c1-8(2)7-12(14,9(3)4)11(13)15-10(5)6/h10,14H,1,3,7H2,2,4-6H3
InChIKeyYIAFHZMFVJAWCH-UHFFFAOYSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-hydroxy-4-methylidenehexanoate
CID 20490670
ethyl (2S)-2-hydroxy-4-methyl-2-(2,2,2-trifluoroethyl)pent-4-enoate
CID 143707795
propan-2-yl (2R,3S)-2,3-bis(ethenyl)-2-hydroxyhexanoate
CID 11031563
propan-2-yl (2R,3R)-2,3-bis(ethenyl)-2-hydroxyhexanoate
CID 11053351
Propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate
CID 11127238
Propan-2-yl 1-hydroxy-3-methylidenecyclopentane-1-carboxylate
CID 60145240
Propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate
CID 85272470
Propan-2-yl 2,3-bis(ethenyl)-2-hydroxyhexanoate
CID 85373686
propan-2-yl (1R)-1-hydroxy-3-methylidenecyclohexane-1-carboxylate
CID 135069099
Propan-2-yl 1-hydroxy-3-methylcyclopent-3-ene-1-carboxylate
CID 176427687
3-Pentenoic acid, 2-hydroxy-4-methyl-2-(2-methyl-2-propenyl)-, ethyl ester
CID 557815
Ethyl 2-hydroxy-2,4-dimethylpent-4-enoate
CID 11062871

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate?
The IUPAC name of propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate (CID 10632336) is propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate.
What is the SMILES notation for propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate?
The canonical SMILES for propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate is C=C(C)CC(O)(C(=C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate?
The InChIKey is YIAFHZMFVJAWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-8(2)7-12(14,9(3)4)11(13)15-10(5)6/h10,14H,1,3,7H2,2,4-6H3.
What are the key properties of propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate?
propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate has a molecular weight of 212.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-4-methyl-2-prop-1-en-2-ylpent-4-enoate is sourced from PubChem (CID 10632336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).