cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol

C10H20O2 — CID 171582081

IUPACcis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol
SMILESCC(C)(C)[C@@H]1CCC[C@@]1(O)CO
InChIInChI=1S/C10H20O2/c1-9(2,3)8-5-4-6-10(8,12)7-11/h8,11-12H,4-7H2,1-3H3/t8-,10+/m0/s1
InChIKeyFXLYUTIHOZIEFQ-WCBMZHEXSA-N
MW172.27 g/mol
LogP1.56
Rot. Bonds1

About cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol

cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 171582081) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol
PubChem CID171582081
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namecis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol
SMILESCC(C)(C)[C@@H]1CCC[C@@]1(O)CO
InChIInChI=1S/C10H20O2/c1-9(2,3)8-5-4-6-10(8,12)7-11/h8,11-12H,4-7H2,1-3H3/t8-,10+/m0/s1
InChIKeyFXLYUTIHOZIEFQ-WCBMZHEXSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butyl-1-hydroxycyclohexyl)acetonitrile
CID 79118971
2-tert-butyl-1-pentylcyclohexan-1-ol
CID 65147794
2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol
CID 79568315
4-tert-butylspiro[4.4]nonane
CID 140778111
trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 131856211
(1S,2S,3R)-1-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 100932205
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 62772585
2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 105402426
2-tert-butyl-1-ethyl-1-methylcyclopentane
CID 123149703
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 63407081

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol (CID 171582081) is cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol is CC(C)(C)[C@@H]1CCC[C@@]1(O)CO.
What is the InChIKey of cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is FXLYUTIHOZIEFQ-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2,3)8-5-4-6-10(8,12)7-11/h8,11-12H,4-7H2,1-3H3/t8-,10+/m0/s1.
What are the key properties of cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol?
cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 171582081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).