trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol

C9H18O2 — CID 71370676

IUPACtrans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol
SMILESCC1(C)CC(C)(C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18O2/c1-8(2)5-9(3,4)7(11)6(8)10/h6-7,10-11H,5H2,1-4H3/t6-,7-/m0/s1
InChIKeyATLZTKGZBRMWQT-BQBZGAKWSA-N
MW158.24 g/mol
LogP1.16
Rot. Bonds

About trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol

trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol (PubChem CID 71370676) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol.

Molecular Properties

Compound Nametrans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol
PubChem CID71370676
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nametrans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol
SMILESCC1(C)CC(C)(C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18O2/c1-8(2)5-9(3,4)7(11)6(8)10/h6-7,10-11H,5H2,1-4H3/t6-,7-/m0/s1
InChIKeyATLZTKGZBRMWQT-BQBZGAKWSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethylcyclobutane-1,2-diol
CID 12791421
ethane;1,1,2,3,3-pentamethylcyclobutane
CID 177318359
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
(3S)-2,2,5,5-tetramethylspiro[2.3]hexan-6-ol
CID 130634198
2-methoxy-1,1,3,3-tetramethylcyclobutane
CID 163267922
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
2,2-dimethylcyclohexan-1-ol
CID 557637
2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol
CID 70957927
trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol
CID 167021569
1,1,3,3-tetramethyl-2-propan-2-ylcyclobutane
CID 123542682
3,3,6,6-tetramethylbicyclo[3.1.0]hexan-2-ol
CID 15025025
(3S,4S)-5,5-dimethylpiperidine-3,4-diol
CID 11550031

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol?
The IUPAC name of trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol (CID 71370676) is trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol.
What is the SMILES notation for trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol?
The canonical SMILES for trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol is CC1(C)CC(C)(C)[C@@H](O)[C@@H]1O.
What is the InChIKey of trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol?
The InChIKey is ATLZTKGZBRMWQT-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2)5-9(3,4)7(11)6(8)10/h6-7,10-11H,5H2,1-4H3/t6-,7-/m0/s1.
What are the key properties of trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol?
trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol has a molecular weight of 158.24 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol is sourced from PubChem (CID 71370676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).