trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol

C9H18O2 — CID 131855256

IUPACtrans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CC[C@@H](CCO)[C@@H]1O
InChIInChI=1S/C9H18O2/c1-9(2)5-3-7(4-6-10)8(9)11/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyGNQFECIVHIWQCM-YUMQZZPRSA-N
MW158.24 g/mol
LogP1.17
Rot. Bonds2

About trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol

trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol (PubChem CID 131855256) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol
PubChem CID131855256
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nametrans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CC[C@@H](CCO)[C@@H]1O
InChIInChI=1S/C9H18O2/c1-9(2)5-3-7(4-6-10)8(9)11/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyGNQFECIVHIWQCM-YUMQZZPRSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[cyclopentyl(ethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855967
5-[[cyclopropylmethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855050
1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol
CID 130993601
(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
CID 53483796
5-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855580
2,2-dimethyl-5-[[methyl(2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 79855430
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79856126
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol
CID 79856040
5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855583
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
2,2-dimethyl-5-[[methyl(oxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 79855271

Frequently Asked Questions

What is the IUPAC name of trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol (CID 131855256) is trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol is CC1(C)CC[C@@H](CCO)[C@@H]1O.
What is the InChIKey of trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol?
The InChIKey is GNQFECIVHIWQCM-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(2)5-3-7(4-6-10)8(9)11/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol?
trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 131855256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).