octane;titanium

C8H17Ti- — CID 174186128

IUPACoctane;titanium
SMILESC[CH-]CCCCCC.[Ti]
InChIInChI=1S/C8H17.Ti/c1-3-5-7-8-6-4-2;/h3H,4-8H2,1-2H3;/q-1;
InChIKeyVRIWFVVYIJRIMT-UHFFFAOYSA-N
MW161.09 g/mol
LogP3.18
Rot. Bonds5

About octane;titanium

octane;titanium (PubChem CID 174186128) has the molecular formula C8H17Ti- and a molecular weight of 161.09 g/mol. Its IUPAC name is octane;titanium.

Molecular Properties

Compound Nameoctane;titanium
PubChem CID174186128
Molecular FormulaC8H17Ti-
Molecular Weight161.09 g/mol
Exact Mass161.08
IUPAC Nameoctane;titanium
SMILESC[CH-]CCCCCC.[Ti]
InChIInChI=1S/C8H17.Ti/c1-3-5-7-8-6-4-2;/h3H,4-8H2,1-2H3;/q-1;
InChIKeyVRIWFVVYIJRIMT-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.09
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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magnesium;carbanide;nonane;hydrochloride
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octadecane;titanium
CID 161312984
lithium;nonane;propanedioic acid
CID 174967507
triacontane
CID 12535
dictane
CID 19848341
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of octane;titanium?
The IUPAC name of octane;titanium (CID 174186128) is octane;titanium.
What is the SMILES notation for octane;titanium?
The canonical SMILES for octane;titanium is C[CH-]CCCCCC.[Ti].
What is the InChIKey of octane;titanium?
The InChIKey is VRIWFVVYIJRIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.Ti/c1-3-5-7-8-6-4-2;/h3H,4-8H2,1-2H3;/q-1;.
What are the key properties of octane;titanium?
octane;titanium has a molecular weight of 161.09 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octane;titanium is sourced from PubChem (CID 174186128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).