methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate

C9H14O3 — CID 178027632

IUPACmethyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate
SMILESCOC(=O)C12CC(C(C)O)(C1)C2
InChIInChI=1S/C9H14O3/c1-6(10)8-3-9(4-8,5-8)7(11)12-2/h6,10H,3-5H2,1-2H3
InChIKeyUUGAOFUDYQGUGB-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.71
Rot. Bonds2

About methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate

methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate (PubChem CID 178027632) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate
PubChem CID178027632
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate
SMILESCOC(=O)C12CC(C(C)O)(C1)C2
InChIInChI=1S/C9H14O3/c1-6(10)8-3-9(4-8,5-8)7(11)12-2/h6,10H,3-5H2,1-2H3
InChIKeyUUGAOFUDYQGUGB-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-methylpropanoyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 134296446
methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 10796998
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate;ethane
CID 144500244
methyl 3-[(E)-prop-1-enyl]bicyclo[1.1.1]pentane-1-carboxylate
CID 163374181
methyl 3-(1,3-dioxolan-2-yl)bicyclo[1.1.1]pentane-1-carboxylate
CID 166127945
methyl 3-[[[(1R,2R)-2-(2-methylpropyl)cyclopropanecarbonyl]amino]methyl]bicyclo[1.1.1]pentane-1-carboxylate
CID 166433818
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389126
methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
methyl 3-(chlorosulfonylmethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 137394034
methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate
CID 115016947
methyl 2-oxabicyclo[2.1.1]hexane-4-carboxylate
CID 155892487
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate;hydrochloride
CID 67216420

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate?
The IUPAC name of methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate (CID 178027632) is methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate.
What is the SMILES notation for methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate?
The canonical SMILES for methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate is COC(=O)C12CC(C(C)O)(C1)C2.
What is the InChIKey of methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate?
The InChIKey is UUGAOFUDYQGUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(10)8-3-9(4-8,5-8)7(11)12-2/h6,10H,3-5H2,1-2H3.
What are the key properties of methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate?
methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate is sourced from PubChem (CID 178027632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).