[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate

C14H24O4 — CID 135225189

IUPAC[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCC(OCCOC)CC1
InChIInChI=1S/C14H24O4/c1-11(2)13(15)18-14(3)7-5-12(6-8-14)17-10-9-16-4/h12H,1,5-10H2,2-4H3
InChIKeyOQTCGTYCNHMYIZ-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.47
Rot. Bonds6

About [4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate

[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate (PubChem CID 135225189) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
PubChem CID135225189
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCC(OCCOC)CC1
InChIInChI=1S/C14H24O4/c1-11(2)13(15)18-14(3)7-5-12(6-8-14)17-10-9-16-4/h12H,1,5-10H2,2-4H3
InChIKeyOQTCGTYCNHMYIZ-UHFFFAOYSA-N
XLogP2.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate
CID 135225209
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225191
(4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate
CID 22898232
(2,4-diethoxy-1-methylcyclohexyl) 2-methylprop-2-enoate
CID 135225174
[(1R,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl] 2-methylprop-2-enoate
CID 174537266
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate
CID 58844002
(3-methoxy-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 58844059
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731
2-methoxyethoxycyclohexane
CID 20550469
[1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate
CID 123644539

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate (CID 135225189) is [4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CCC(OCCOC)CC1.
What is the InChIKey of [4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate?
The InChIKey is OQTCGTYCNHMYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-11(2)13(15)18-14(3)7-5-12(6-8-14)17-10-9-16-4/h12H,1,5-10H2,2-4H3.
What are the key properties of [4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate?
[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 135225189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).