octadecane;titanium

C18H38Ti — CID 161312984

IUPACoctadecane;titanium
SMILESCCCCCCCCCCCCCCCCCC.[Ti]
InChIInChI=1S/C18H38.Ti/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h3-18H2,1-2H3;
InChIKeyVJDBXNQWLJDDSY-UHFFFAOYSA-N
MW302.37 g/mol
LogP7.27
Rot. Bonds15

About octadecane;titanium

octadecane;titanium (PubChem CID 161312984) has the molecular formula C18H38Ti and a molecular weight of 302.37 g/mol. Its IUPAC name is octadecane;titanium.

Molecular Properties

Compound Nameoctadecane;titanium
PubChem CID161312984
Molecular FormulaC18H38Ti
Molecular Weight302.37 g/mol
Exact Mass302.25
IUPAC Nameoctadecane;titanium
SMILESCCCCCCCCCCCCCCCCCC.[Ti]
InChIInChI=1S/C18H38.Ti/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h3-18H2,1-2H3;
InChIKeyVJDBXNQWLJDDSY-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 522644
hexadecane;pentadecane
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dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of octadecane;titanium?
The IUPAC name of octadecane;titanium (CID 161312984) is octadecane;titanium.
What is the SMILES notation for octadecane;titanium?
The canonical SMILES for octadecane;titanium is CCCCCCCCCCCCCCCCCC.[Ti].
What is the InChIKey of octadecane;titanium?
The InChIKey is VJDBXNQWLJDDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.Ti/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h3-18H2,1-2H3;.
What are the key properties of octadecane;titanium?
octadecane;titanium has a molecular weight of 302.37 g/mol, XLogP of 7.27, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadecane;titanium is sourced from PubChem (CID 161312984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).