cis-(1S,3R)-cyclooctane-1,3-diol

C8H16O2 — CID 59075450

IUPACcis-(1S,3R)-cyclooctane-1,3-diol
SMILESO[C@@H]1CCCCC[C@H](O)C1
InChIInChI=1S/C8H16O2/c9-7-4-2-1-3-5-8(10)6-7/h7-10H,1-6H2/t7-,8+
InChIKeyDNJRSNYMHOVSGB-OCAPTIKFSA-N
MW144.21 g/mol
LogP1.06
Rot. Bonds

About cis-(1S,3R)-cyclooctane-1,3-diol

cis-(1S,3R)-cyclooctane-1,3-diol (PubChem CID 59075450) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is cis-(1S,3R)-cyclooctane-1,3-diol.

Molecular Properties

Compound Namecis-(1S,3R)-cyclooctane-1,3-diol
PubChem CID59075450
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namecis-(1S,3R)-cyclooctane-1,3-diol
SMILESO[C@@H]1CCCCC[C@H](O)C1
InChIInChI=1S/C8H16O2/c9-7-4-2-1-3-5-8(10)6-7/h7-10H,1-6H2/t7-,8+
InChIKeyDNJRSNYMHOVSGB-OCAPTIKFSA-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

trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
potassium cyclohexane-1,3-diol
CID 22067166
cis-(1S,3R)-cyclohexane-1,3-diol;copper
CID 68514238
cyclohexanol;cyclooctanol
CID 22461579
cyclohexanol;iron
CID 146901686
tetrakis(cyclooctanol);zirconium
CID 142301923
cyclohexanol;gallane
CID 172997547
3-methylcyclononan-1-ol
CID 143603449
(1S)-3-methylcyclopentadecan-1-ol
CID 177450802
CID 157040931
CID 157040931
cyclohexanol;methanol
CID 18353815

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-cyclooctane-1,3-diol?
The IUPAC name of cis-(1S,3R)-cyclooctane-1,3-diol (CID 59075450) is cis-(1S,3R)-cyclooctane-1,3-diol.
What is the SMILES notation for cis-(1S,3R)-cyclooctane-1,3-diol?
The canonical SMILES for cis-(1S,3R)-cyclooctane-1,3-diol is O[C@@H]1CCCCC[C@H](O)C1.
What is the InChIKey of cis-(1S,3R)-cyclooctane-1,3-diol?
The InChIKey is DNJRSNYMHOVSGB-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H16O2/c9-7-4-2-1-3-5-8(10)6-7/h7-10H,1-6H2/t7-,8+.
What are the key properties of cis-(1S,3R)-cyclooctane-1,3-diol?
cis-(1S,3R)-cyclooctane-1,3-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 cis-(1S,3R)-cyclooctane-1,3-diol is sourced from PubChem (CID 59075450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).