methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate

C9H16O3 — CID 170070981

IUPACmethyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate
SMILESCOC(=O)C1C(O)CCC1(C)C
InChIInChI=1S/C9H16O3/c1-9(2)5-4-6(10)7(9)8(11)12-3/h6-7,10H,4-5H2,1-3H3
InChIKeyHWKGKJGIJZVEHU-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.96
Rot. Bonds1

About methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate

methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate (PubChem CID 170070981) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate
PubChem CID170070981
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate
SMILESCOC(=O)C1C(O)CCC1(C)C
InChIInChI=1S/C9H16O3/c1-9(2)5-4-6(10)7(9)8(11)12-3/h6-7,10H,4-5H2,1-3H3
InChIKeyHWKGKJGIJZVEHU-UHFFFAOYSA-N
XLogP0.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1S,6R)-6-hydroxy-2,2-dimethylcyclohexane-1-carboxylate
CID 129362753
methyl (1S,2R,4aS,8aR)-2-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylate
CID 101048562
dimethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 5081715
dimethyl 1-methoxy-4-methylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CID 142765234
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate
CID 10986985
methyl 3-bromo-2,2-dimethylcyclopropane-1-carboxylate
CID 549186
5-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 15162720
cis-(1R,3S)-3-methoxycarbonyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13041474
methyl (1R,5S,6R)-1-methylspiro[2,3-diazabicyclo[3.1.0]hex-2-ene-4,1'-cyclopropane]-6-carboxylate
CID 15759617
dimethyl 3,3-dimethyl-1,2,5,6,7,8-hexahydropyrrolizine-1,2-dicarboxylate
CID 5200290
methyl 5,5-dimethylpyrrolidine-2-carboxylate
CID 75088958

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate?
The IUPAC name of methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate (CID 170070981) is methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate is COC(=O)C1C(O)CCC1(C)C.
What is the InChIKey of methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate?
The InChIKey is HWKGKJGIJZVEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(2)5-4-6(10)7(9)8(11)12-3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate?
methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 170070981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).