1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate

C15H24O3 — CID 123181333

IUPAC1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1CCC(C(=C)C)CC1O
InChIInChI=1S/C15H24O3/c1-9(2)12-6-7-13(14(16)8-12)11(5)18-15(17)10(3)4/h11-14,16H,1,3,6-8H2,2,4-5H3
InChIKeyORHZSXZYGALIOD-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate

1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate (PubChem CID 123181333) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate
PubChem CID123181333
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1CCC(C(=C)C)CC1O
InChIInChI=1S/C15H24O3/c1-9(2)12-6-7-13(14(16)8-12)11(5)18-15(17)10(3)4/h11-14,16H,1,3,6-8H2,2,4-5H3
InChIKeyORHZSXZYGALIOD-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate 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

1-(5-methyl-3-tricyclo[5.2.1.02,6]decanyl)ethyl 2-methylprop-2-enoate
CID 89057270
1-[6-hydroxy-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]ethyl 2-methylprop-2-enoate
CID 126538020
propan-2-yl 2-methylprop-2-enoate
CID 146421311
methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate
CID 166072623
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-cyclopentyloxyethyl 2-methylprop-2-enoate
CID 68973043
[(1R,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl] 2-methylprop-2-enoate
CID 174537266
1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]ethanone
CID 93498647
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
(5-cyclopentyl-3-methyl-5-oxopentan-2-yl) 2-methylprop-2-enoate
CID 144560165
1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate
CID 141166852

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate (CID 123181333) is 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C1CCC(C(=C)C)CC1O.
What is the InChIKey of 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate?
The InChIKey is ORHZSXZYGALIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)12-6-7-13(14(16)8-12)11(5)18-15(17)10(3)4/h11-14,16H,1,3,6-8H2,2,4-5H3.
What are the key properties of 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate?
1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate has a molecular weight of 252.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 123181333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).