trans-(1S,2S)-cyclooctane-1,2-diol

C8H16O2 — CID 7273013

IUPACtrans-(1S,2S)-cyclooctane-1,2-diol
SMILESO[C@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C8H16O2/c9-7-5-3-1-2-4-6-8(7)10/h7-10H,1-6H2/t7-,8-/m0/s1
InChIKeyHUSOFJYAGDTKSK-YUMQZZPRSA-N
MW144.21 g/mol
LogP1.06
Rot. Bonds

About trans-(1S,2S)-cyclooctane-1,2-diol

trans-(1S,2S)-cyclooctane-1,2-diol (PubChem CID 7273013) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is trans-(1S,2S)-cyclooctane-1,2-diol.

Molecular Properties

Compound Nametrans-(1S,2S)-cyclooctane-1,2-diol
PubChem CID7273013
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nametrans-(1S,2S)-cyclooctane-1,2-diol
SMILESO[C@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C8H16O2/c9-7-5-3-1-2-4-6-8(7)10/h7-10H,1-6H2/t7-,8-/m0/s1
InChIKeyHUSOFJYAGDTKSK-YUMQZZPRSA-N
XLogP1.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
cyclohexane-1,2-diol;ethane;propane
CID 143149782
trans-(1S,2S)-2-chlorocyclooctan-1-ol
CID 15084407
cis-(1R,2S)-2-aminocyclononan-1-ol
CID 130765109
(2R)-2-bromocyclododecan-1-ol
CID 177392734
2-methylcyclododecan-1-ol
CID 13130078
trans-(1S,2S)-2-fluorocyclododecan-1-ol
CID 23237008
2-chlorocyclooctan-1-ol
CID 15084406
2-cyclooctylcyclohexan-1-ol
CID 22359607
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-cyclooctane-1,2-diol?
The IUPAC name of trans-(1S,2S)-cyclooctane-1,2-diol (CID 7273013) is trans-(1S,2S)-cyclooctane-1,2-diol.
What is the SMILES notation for trans-(1S,2S)-cyclooctane-1,2-diol?
The canonical SMILES for trans-(1S,2S)-cyclooctane-1,2-diol is O[C@H]1CCCCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-cyclooctane-1,2-diol?
The InChIKey is HUSOFJYAGDTKSK-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O2/c9-7-5-3-1-2-4-6-8(7)10/h7-10H,1-6H2/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-cyclooctane-1,2-diol?
trans-(1S,2S)-cyclooctane-1,2-diol has a molecular weight of 144.21 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-cyclooctane-1,2-diol is sourced from PubChem (CID 7273013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).