ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate

C15H26O3 — CID 143335172

IUPACethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate
SMILESCCOC(=O)C1CCC(C2CCC(C)CC2)OC1
InChIInChI=1S/C15H26O3/c1-3-17-15(16)13-8-9-14(18-10-13)12-6-4-11(2)5-7-12/h11-14H,3-10H2,1-2H3
InChIKeyWCPUVPNKCPGXIX-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.17
Rot. Bonds3

About ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate

ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate (PubChem CID 143335172) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate
PubChem CID143335172
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate
SMILESCCOC(=O)C1CCC(C2CCC(C)CC2)OC1
InChIInChI=1S/C15H26O3/c1-3-17-15(16)13-8-9-14(18-10-13)12-6-4-11(2)5-7-12/h11-14H,3-10H2,1-2H3
InChIKeyWCPUVPNKCPGXIX-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate?
The IUPAC name of ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate (CID 143335172) is ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate?
The canonical SMILES for ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate is CCOC(=O)C1CCC(C2CCC(C)CC2)OC1.
What is the InChIKey of ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate?
The InChIKey is WCPUVPNKCPGXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-17-15(16)13-8-9-14(18-10-13)12-6-4-11(2)5-7-12/h11-14H,3-10H2,1-2H3.
What are the key properties of ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate?
ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methylcyclohexyl)oxane-3-carboxylate is sourced from PubChem (CID 143335172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).