decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol

C44H98O6 — CID 159582596

IUPACdecane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
SMILESCCCCCCCCCCCCCO.CCCCCCCCCO.CCCCCCCO.CCCCCO.OCCCCCCCCCCO
InChIInChI=1S/C13H28O.C10H22O2.C9H20O.C7H16O.C5H12O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;11-9-7-5-3-1-2-4-6-8-10-12;1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7-8;1-2-3-4-5-6/h14H,2-13H2,1H3;11-12H,1-10H2;10H,2-9H2,1H3;8H,2-7H2,1H3;6H,2-5H2,1H3
InChIKeyMJFBQVPSCYMODQ-UHFFFAOYSA-N
MW723.26 g/mol
LogP12.23
Rot. Bonds35

About decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol

decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol (PubChem CID 159582596) has the molecular formula C44H98O6 and a molecular weight of 723.26 g/mol. Its IUPAC name is decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol.

Molecular Properties

Compound Namedecane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
PubChem CID159582596
Molecular FormulaC44H98O6
Molecular Weight723.26 g/mol
Exact Mass722.74
IUPAC Namedecane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
SMILESCCCCCCCCCCCCCO.CCCCCCCCCO.CCCCCCCO.CCCCCO.OCCCCCCCCCCO
InChIInChI=1S/C13H28O.C10H22O2.C9H20O.C7H16O.C5H12O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;11-9-7-5-3-1-2-4-6-8-10-12;1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7-8;1-2-3-4-5-6/h14H,2-13H2,1H3;11-12H,1-10H2;10H,2-9H2,1H3;8H,2-7H2,1H3;6H,2-5H2,1H3
InChIKeyMJFBQVPSCYMODQ-UHFFFAOYSA-N
XLogP12.23
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds35
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500723.26
LogP ≤ 512.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546

Frequently Asked Questions

What is the IUPAC name of decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol?
The IUPAC name of decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol (CID 159582596) is decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol.
What is the SMILES notation for decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol?
The canonical SMILES for decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol is CCCCCCCCCCCCCO.CCCCCCCCCO.CCCCCCCO.CCCCCO.OCCCCCCCCCCO.
What is the InChIKey of decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol?
The InChIKey is MJFBQVPSCYMODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O.C10H22O2.C9H20O.C7H16O.C5H12O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;11-9-7-5-3-1-2-4-6-8-10-12;1-2-3-4-5-6-7-8-9-10;1-2-3-4-5-6-7-8;1-2-3-4-5-6/h14H,2-13H2,1H3;11-12H,1-10H2;10H,2-9H2,1H3;8H,2-7H2,1H3;6H,2-5H2,1H3.
What are the key properties of decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol?
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol has a molecular weight of 723.26 g/mol, XLogP of 12.23, 35 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol is sourced from PubChem (CID 159582596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).