methyl 2-hydroxycyclohexene-1-carboxylate

C8H12O3 — CID 54706345

IUPACmethyl 2-hydroxycyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(O)CCCC1
InChIInChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h9H,2-5H2,1H3
InChIKeyWDOOYXURYBYYAM-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.55
Rot. Bonds1

About methyl 2-hydroxycyclohexene-1-carboxylate

methyl 2-hydroxycyclohexene-1-carboxylate (PubChem CID 54706345) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2-hydroxycyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxycyclohexene-1-carboxylate
PubChem CID54706345
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 2-hydroxycyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(O)CCCC1
InChIInChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h9H,2-5H2,1H3
InChIKeyWDOOYXURYBYYAM-UHFFFAOYSA-N
XLogP1.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxycyclohexene-1-carboxylate?
The IUPAC name of methyl 2-hydroxycyclohexene-1-carboxylate (CID 54706345) is methyl 2-hydroxycyclohexene-1-carboxylate.
What is the SMILES notation for methyl 2-hydroxycyclohexene-1-carboxylate?
The canonical SMILES for methyl 2-hydroxycyclohexene-1-carboxylate is COC(=O)C1=C(O)CCCC1.
What is the InChIKey of methyl 2-hydroxycyclohexene-1-carboxylate?
The InChIKey is WDOOYXURYBYYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h9H,2-5H2,1H3.
What are the key properties of methyl 2-hydroxycyclohexene-1-carboxylate?
methyl 2-hydroxycyclohexene-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxycyclohexene-1-carboxylate is sourced from PubChem (CID 54706345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).