3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate

C13H22O3 — CID 142509659

IUPAC3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC1CCCCC1O
InChIInChI=1S/C13H22O3/c1-10(2)13(15)16-9-5-7-11-6-3-4-8-12(11)14/h11-12,14H,1,3-9H2,2H3
InChIKeyHKRTYDBCYMVSEH-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.44
Rot. Bonds5

About 3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate

3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate (PubChem CID 142509659) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate
PubChem CID142509659
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC1CCCCC1O
InChIInChI=1S/C13H22O3/c1-10(2)13(15)16-9-5-7-11-6-3-4-8-12(11)14/h11-12,14H,1,3-9H2,2H3
InChIKeyHKRTYDBCYMVSEH-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
CID 59289014
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate
CID 89376003
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate
CID 58107900
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
[4-[4-(2-methylprop-2-enoyloxy)butoxycarbonyloxy]phenyl] cyclohexanecarboxylate
CID 89073253

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate (CID 142509659) is 3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC1CCCCC1O.
What is the InChIKey of 3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate?
The InChIKey is HKRTYDBCYMVSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-10(2)13(15)16-9-5-7-11-6-3-4-8-12(11)14/h11-12,14H,1,3-9H2,2H3.
What are the key properties of 3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate?
3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate has a molecular weight of 226.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 142509659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).