(3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate

C11H18O3 — CID 58890213

IUPAC(3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1CCC(C)C(O)C1
InChIInChI=1S/C11H18O3/c1-3-11(13)14-7-9-5-4-8(2)10(12)6-9/h3,8-10,12H,1,4-7H2,2H3
InChIKeyQZCANTDCGMPZMY-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.51
Rot. Bonds3

About (3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate

(3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate (PubChem CID 58890213) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate
PubChem CID58890213
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1CCC(C)C(O)C1
InChIInChI=1S/C11H18O3/c1-3-11(13)14-7-9-5-4-8(2)10(12)6-9/h3,8-10,12H,1,4-7H2,2H3
InChIKeyQZCANTDCGMPZMY-UHFFFAOYSA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-4-(prop-2-enoyloxymethyl)cyclohexyl] 2-methylpropanoate
CID 167019590
[(4R)-3-hydroxy-4-methylcyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 146576482
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate
CID 160642606
3-(3,4-dihydroxycyclohexyl)propyl prop-2-enoate
CID 141157724
(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate
CID 142801588
[3-hydroxy-4-[2-[4-(trifluoromethoxy)phenoxy]acetyl]oxycyclohexyl]methyl prop-2-enoate
CID 177277314
(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141152931
[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl]methyl prop-2-enoate
CID 166816208
(5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate
CID 139639663
(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141004528
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate
CID 11816189
[3-hydroxy-4-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxycyclohexyl]methyl prop-2-enoate
CID 177277249

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate?
The IUPAC name of (3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate (CID 58890213) is (3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate.
What is the SMILES notation for (3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate?
The canonical SMILES for (3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate is C=CC(=O)OCC1CCC(C)C(O)C1.
What is the InChIKey of (3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate?
The InChIKey is QZCANTDCGMPZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-11(13)14-7-9-5-4-8(2)10(12)6-9/h3,8-10,12H,1,4-7H2,2H3.
What are the key properties of (3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate?
(3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate is sourced from PubChem (CID 58890213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).