methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate

C11H18O3 — CID 64623842

IUPACmethyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate
SMILESCOC(=O)C1(O)CCCC(C2CC2)C1
InChIInChI=1S/C11H18O3/c1-14-10(12)11(13)6-2-3-9(7-11)8-4-5-8/h8-9,13H,2-7H2,1H3
InChIKeyLRXRZLHMJGKBNL-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.49
Rot. Bonds2

About methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate

methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate (PubChem CID 64623842) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate
PubChem CID64623842
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate
SMILESCOC(=O)C1(O)CCCC(C2CC2)C1
InChIInChI=1S/C11H18O3/c1-14-10(12)11(13)6-2-3-9(7-11)8-4-5-8/h8-9,13H,2-7H2,1H3
InChIKeyLRXRZLHMJGKBNL-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol
CID 79189480
methyl 2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylate
CID 67076753
methyl 1-hydroxy-3,4-dimethylcyclohexane-1-carboxylate
CID 64744701
methyl 1-hydroxycyclopropane-1-carboxylate
CID 2733178
methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride
CID 138991482
methyl 3-cyclopropyl-1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 64625445
3-cyclopropyl-1-(methylamino)cyclohexan-1-ol
CID 118556069
methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate
CID 134204201
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
methyl 3-cyclopropyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 64625236
methyl (3R)-3-hydroxypiperidine-3-carboxylate
CID 86334558

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate (CID 64623842) is methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate is COC(=O)C1(O)CCCC(C2CC2)C1.
What is the InChIKey of methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate?
The InChIKey is LRXRZLHMJGKBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-14-10(12)11(13)6-2-3-9(7-11)8-4-5-8/h8-9,13H,2-7H2,1H3.
What are the key properties of methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate?
methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 64623842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).