(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate

C14H24O3 — CID 58844002

IUPAC(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCCCC1OCCC
InChIInChI=1S/C14H24O3/c1-5-10-16-12-8-6-7-9-14(12,4)17-13(15)11(2)3/h12H,2,5-10H2,1,3-4H3
InChIKeyWPWLDQSPLUOHEW-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.23
Rot. Bonds5

About (1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate

(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate (PubChem CID 58844002) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate
PubChem CID58844002
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCCCC1OCCC
InChIInChI=1S/C14H24O3/c1-5-10-16-12-8-6-7-9-14(12,4)17-13(15)11(2)3/h12H,2,5-10H2,1,3-4H3
InChIKeyWPWLDQSPLUOHEW-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225191
(2,4-diethoxy-1-methylcyclohexyl) 2-methylprop-2-enoate
CID 135225174
(1,2-diethylcyclooctyl) 2-methylprop-2-enoate
CID 175495311
(1-butyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-yl) 2-methylprop-2-enoate
CID 164546899
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
CID 122533391
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate
CID 141485230
[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225189
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate (CID 58844002) is (1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CCCCC1OCCC.
What is the InChIKey of (1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate?
The InChIKey is WPWLDQSPLUOHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-10-16-12-8-6-7-9-14(12,4)17-13(15)11(2)3/h12H,2,5-10H2,1,3-4H3.
What are the key properties of (1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate?
(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate has a molecular weight of 240.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 58844002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).