[2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate

C16H26O6 — CID 135225209

IUPAC[2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCOC)CCC(OC)CC1C(=O)CO
InChIInChI=1S/C16H26O6/c1-11(2)15(19)22-16(7-8-20-3)6-5-12(21-4)9-13(16)14(18)10-17/h12-13,17H,1,5-10H2,2-4H3
InChIKeyHWSRVABTZODQAP-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.26
Rot. Bonds8

About [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate

[2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 135225209) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate
PubChem CID135225209
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name[2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCOC)CCC(OC)CC1C(=O)CO
InChIInChI=1S/C16H26O6/c1-11(2)15(19)22-16(7-8-20-3)6-5-12(21-4)9-13(16)14(18)10-17/h12-13,17H,1,5-10H2,2-4H3
InChIKeyHWSRVABTZODQAP-UHFFFAOYSA-N
XLogP1.26
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 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

[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225189
[1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate
CID 123644539
(2,4-diethoxy-1-methylcyclohexyl) 2-methylprop-2-enoate
CID 135225174
(3-methoxy-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 58844059
(1-butyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-yl) 2-methylprop-2-enoate
CID 164546899
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225191
[(2S)-2-ethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 101419322
(1,2-diethylcyclooctyl) 2-methylprop-2-enoate
CID 175495311
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate (CID 135225209) is [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CCOC)CCC(OC)CC1C(=O)CO.
What is the InChIKey of [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is HWSRVABTZODQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-11(2)15(19)22-16(7-8-20-3)6-5-12(21-4)9-13(16)14(18)10-17/h12-13,17H,1,5-10H2,2-4H3.
What are the key properties of [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate?
[2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 314.38 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 135225209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).