methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate

C13H22O3 — CID 10059596

IUPACmethyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(C2(O)CCCC2)CCCCC1
InChIInChI=1S/C13H22O3/c1-16-11(14)12(7-3-2-4-8-12)13(15)9-5-6-10-13/h15H,2-10H2,1H3
InChIKeyKGWGCYIHTGQOIH-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.41
Rot. Bonds2

About methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate

methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate (PubChem CID 10059596) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
PubChem CID10059596
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Namemethyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(C2(O)CCCC2)CCCCC1
InChIInChI=1S/C13H22O3/c1-16-11(14)12(7-3-2-4-8-12)13(15)9-5-6-10-13/h15H,2-10H2,1H3
InChIKeyKGWGCYIHTGQOIH-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate (CID 10059596) is methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate is COC(=O)C1(C2(O)CCCC2)CCCCC1.
What is the InChIKey of methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate?
The InChIKey is KGWGCYIHTGQOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-16-11(14)12(7-3-2-4-8-12)13(15)9-5-6-10-13/h15H,2-10H2,1H3.
What are the key properties of methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate?
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 10059596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).