decane-1,10-diol;nonane-1,2-diol

C19H42O4 — CID 174889231

IUPACdecane-1,10-diol;nonane-1,2-diol
SMILESCCCCCCCC(O)CO.OCCCCCCCCCCO
InChIInChI=1S/C10H22O2.C9H20O2/c11-9-7-5-3-1-2-4-6-8-10-12;1-2-3-4-5-6-7-9(11)8-10/h11-12H,1-10H2;9-11H,2-8H2,1H3
InChIKeyDRXDXXIPQKORDK-UHFFFAOYSA-N
MW334.54 g/mol
LogP3.79
Rot. Bonds16

About decane-1,10-diol;nonane-1,2-diol

decane-1,10-diol;nonane-1,2-diol (PubChem CID 174889231) has the molecular formula C19H42O4 and a molecular weight of 334.54 g/mol. Its IUPAC name is decane-1,10-diol;nonane-1,2-diol.

Molecular Properties

Compound Namedecane-1,10-diol;nonane-1,2-diol
PubChem CID174889231
Molecular FormulaC19H42O4
Molecular Weight334.54 g/mol
Exact Mass334.31
IUPAC Namedecane-1,10-diol;nonane-1,2-diol
SMILESCCCCCCCC(O)CO.OCCCCCCCCCCO
InChIInChI=1S/C10H22O2.C9H20O2/c11-9-7-5-3-1-2-4-6-8-10-12;1-2-3-4-5-6-7-9(11)8-10/h11-12H,1-10H2;9-11H,2-8H2,1H3
InChIKeyDRXDXXIPQKORDK-UHFFFAOYSA-N
XLogP3.79
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.54
LogP ≤ 53.79
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

hexane-1,2-diol;hexane-1,2,6-triol
CID 22728671
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
triacontane-1,2-diol
CID 19770548
(2R)-nonadecane-1,2-diol
CID 124511707
octane-1,2-diol
CID 159791136
tricosane-1,2-diol
CID 42607324
icosane-1,9-diol
CID 22758044
heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
docosane-1,11-diol
CID 54487610
icosane-1,11-diol
CID 56976881

Frequently Asked Questions

What is the IUPAC name of decane-1,10-diol;nonane-1,2-diol?
The IUPAC name of decane-1,10-diol;nonane-1,2-diol (CID 174889231) is decane-1,10-diol;nonane-1,2-diol.
What is the SMILES notation for decane-1,10-diol;nonane-1,2-diol?
The canonical SMILES for decane-1,10-diol;nonane-1,2-diol is CCCCCCCC(O)CO.OCCCCCCCCCCO.
What is the InChIKey of decane-1,10-diol;nonane-1,2-diol?
The InChIKey is DRXDXXIPQKORDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C9H20O2/c11-9-7-5-3-1-2-4-6-8-10-12;1-2-3-4-5-6-7-9(11)8-10/h11-12H,1-10H2;9-11H,2-8H2,1H3.
What are the key properties of decane-1,10-diol;nonane-1,2-diol?
decane-1,10-diol;nonane-1,2-diol has a molecular weight of 334.54 g/mol, XLogP of 3.79, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,10-diol;nonane-1,2-diol is sourced from PubChem (CID 174889231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).