decane-1,8-diol

C20H44O4 — CID 160857478

IUPACdecane-1,8-diol
SMILESCCC(O)CCCCCCCO.CCC(O)CCCCCCCO
InChIInChI=1S/2C10H22O2/c2*1-2-10(12)8-6-4-3-5-7-9-11/h2*10-12H,2-9H2,1H3
InChIKeySKAXQBJJYNYTAP-UHFFFAOYSA-N
MW348.57 g/mol
LogP4.18
Rot. Bonds16

About decane-1,8-diol

decane-1,8-diol (PubChem CID 160857478) has the molecular formula C20H44O4 and a molecular weight of 348.57 g/mol. Its IUPAC name is decane-1,8-diol.

Molecular Properties

Compound Namedecane-1,8-diol
PubChem CID160857478
Molecular FormulaC20H44O4
Molecular Weight348.57 g/mol
Exact Mass348.32
IUPAC Namedecane-1,8-diol
SMILESCCC(O)CCCCCCCO.CCC(O)CCCCCCCO
InChIInChI=1S/2C10H22O2/c2*1-2-10(12)8-6-4-3-5-7-9-11/h2*10-12H,2-9H2,1H3
InChIKeySKAXQBJJYNYTAP-UHFFFAOYSA-N
XLogP4.18
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.57
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

undecane-1,9-diol
CID 56629636
icosane-1,18-diol
CID 87114916
octane-1,6-diol
CID 159745348
(5R)-heptane-1,5-diol
CID 170849468
decane-1,2,8-triol
CID 88722169
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
(9R)-octadecane-1,9-diol
CID 10968142
icosane-1,9-diol
CID 22758044
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922

Frequently Asked Questions

What is the IUPAC name of decane-1,8-diol?
The IUPAC name of decane-1,8-diol (CID 160857478) is decane-1,8-diol.
What is the SMILES notation for decane-1,8-diol?
The canonical SMILES for decane-1,8-diol is CCC(O)CCCCCCCO.CCC(O)CCCCCCCO.
What is the InChIKey of decane-1,8-diol?
The InChIKey is SKAXQBJJYNYTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22O2/c2*1-2-10(12)8-6-4-3-5-7-9-11/h2*10-12H,2-9H2,1H3.
What are the key properties of decane-1,8-diol?
decane-1,8-diol has a molecular weight of 348.57 g/mol, XLogP of 4.18, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,8-diol is sourced from PubChem (CID 160857478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).