methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate

C9H16O4 — CID 129073638

IUPACmethyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate
SMILESCOC(=O)C1(OC)CCC(O)CC1
InChIInChI=1S/C9H16O4/c1-12-8(11)9(13-2)5-3-7(10)4-6-9/h7,10H,3-6H2,1-2H3
InChIKeyKXOFQAXLURRKKB-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.48
Rot. Bonds2

About methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate

methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate (PubChem CID 129073638) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate
PubChem CID129073638
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate
SMILESCOC(=O)C1(OC)CCC(O)CC1
InChIInChI=1S/C9H16O4/c1-12-8(11)9(13-2)5-3-7(10)4-6-9/h7,10H,3-6H2,1-2H3
InChIKeyKXOFQAXLURRKKB-UHFFFAOYSA-N
XLogP0.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate (CID 129073638) is methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate is COC(=O)C1(OC)CCC(O)CC1.
What is the InChIKey of methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate?
The InChIKey is KXOFQAXLURRKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-12-8(11)9(13-2)5-3-7(10)4-6-9/h7,10H,3-6H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate?
methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 129073638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).