(2R)-octane-1,2-diol

C8H18O2 — CID 6994435

IUPAC(2R)-octane-1,2-diol
SMILESCCCCCC[C@@H](O)CO
InChIInChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1
InChIKeyAEIJTFQOBWATKX-MRVPVSSYSA-N
MW146.23 g/mol
LogP1.31
Rot. Bonds6

About (2R)-octane-1,2-diol

(2R)-octane-1,2-diol (PubChem CID 6994435) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (2R)-octane-1,2-diol.

Molecular Properties

Compound Name(2R)-octane-1,2-diol
PubChem CID6994435
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(2R)-octane-1,2-diol
SMILESCCCCCC[C@@H](O)CO
InChIInChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1
InChIKeyAEIJTFQOBWATKX-MRVPVSSYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-decane-1,2-diol
CID 10888425
triacontane-1,2-diol
CID 19770548
octane-1,2-diol
CID 159791136
tricosane-1,2-diol
CID 42607324
CID 158891282
CID 158891282
decane-1,10-diol;nonane-1,2-diol
CID 174889231
carbonic acid;octane-1,2-diol
CID 87196944
acetic acid;octane-1,2-diol
CID 71443933
hexane-1,1-diol;hexane-1,2-diol
CID 158152715
octadec-9-ene-1,2-diol
CID 139720566
ethanol;nonacosan-10-ol
CID 87536381

Frequently Asked Questions

What is the IUPAC name of (2R)-octane-1,2-diol?
The IUPAC name of (2R)-octane-1,2-diol (CID 6994435) is (2R)-octane-1,2-diol.
What is the SMILES notation for (2R)-octane-1,2-diol?
The canonical SMILES for (2R)-octane-1,2-diol is CCCCCC[C@@H](O)CO.
What is the InChIKey of (2R)-octane-1,2-diol?
The InChIKey is AEIJTFQOBWATKX-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-octane-1,2-diol?
(2R)-octane-1,2-diol has a molecular weight of 146.23 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-octane-1,2-diol is sourced from PubChem (CID 6994435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).