methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate

C13H22O4 — CID 13236238

IUPACmethyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCC(OC2CCCCO2)C1
InChIInChI=1S/C13H22O4/c1-15-13(14)10-5-4-6-11(9-10)17-12-7-2-3-8-16-12/h10-12H,2-9H2,1H3
InChIKeyHJHVPKYJOOHMCW-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.26
Rot. Bonds3

About methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate

methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate (PubChem CID 13236238) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate
PubChem CID13236238
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namemethyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCC(OC2CCCCO2)C1
InChIInChI=1S/C13H22O4/c1-15-13(14)10-5-4-6-11(9-10)17-12-7-2-3-8-16-12/h10-12H,2-9H2,1H3
InChIKeyHJHVPKYJOOHMCW-UHFFFAOYSA-N
XLogP2.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate (CID 13236238) is methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate is COC(=O)C1CCCC(OC2CCCCO2)C1.
What is the InChIKey of methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate?
The InChIKey is HJHVPKYJOOHMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-15-13(14)10-5-4-6-11(9-10)17-12-7-2-3-8-16-12/h10-12H,2-9H2,1H3.
What are the key properties of methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate?
methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate has a molecular weight of 242.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 13236238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).