16-methylheptadecan-1-ol;titanium

C18H38OTi — CID 151630620

IUPAC16-methylheptadecan-1-ol;titanium
SMILESCC(C)CCCCCCCCCCCCCCCO.[Ti]
InChIInChI=1S/C18H38O.Ti/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;/h18-19H,3-17H2,1-2H3;
InChIKeyWXZHFAUEMSBVHO-UHFFFAOYSA-N
MW318.37 g/mol
LogP6.09
Rot. Bonds15

About 16-methylheptadecan-1-ol;titanium

16-methylheptadecan-1-ol;titanium (PubChem CID 151630620) has the molecular formula C18H38OTi and a molecular weight of 318.37 g/mol. Its IUPAC name is 16-methylheptadecan-1-ol;titanium.

Molecular Properties

Compound Name16-methylheptadecan-1-ol;titanium
PubChem CID151630620
Molecular FormulaC18H38OTi
Molecular Weight318.37 g/mol
Exact Mass318.24
IUPAC Name16-methylheptadecan-1-ol;titanium
SMILESCC(C)CCCCCCCCCCCCCCCO.[Ti]
InChIInChI=1S/C18H38O.Ti/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;/h18-19H,3-17H2,1-2H3;
InChIKeyWXZHFAUEMSBVHO-UHFFFAOYSA-N
XLogP6.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.37
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

alumane;6-methylheptan-1-ol
CID 174615736
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tris(5-methylhexan-1-ol);titanium;dihydrate
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sodium;hydride;8-methylnonan-1-ol
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3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838
CID 6335748
CID 6335748
bis(5-methylhexan-1-ol);zirconium(4+);tetrahydroxide
CID 175523353
2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
CID 174818152
17-methyloctadecane-1,11-diol
CID 91311361
4-methylpentan-1-ol;titanium;dihydrate
CID 175523375
6-methylheptan-1-ol;phosphoric acid
CID 138394969
trisodium;6-methylheptan-1-ol;phosphate
CID 174850662

Frequently Asked Questions

What is the IUPAC name of 16-methylheptadecan-1-ol;titanium?
The IUPAC name of 16-methylheptadecan-1-ol;titanium (CID 151630620) is 16-methylheptadecan-1-ol;titanium.
What is the SMILES notation for 16-methylheptadecan-1-ol;titanium?
The canonical SMILES for 16-methylheptadecan-1-ol;titanium is CC(C)CCCCCCCCCCCCCCCO.[Ti].
What is the InChIKey of 16-methylheptadecan-1-ol;titanium?
The InChIKey is WXZHFAUEMSBVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O.Ti/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;/h18-19H,3-17H2,1-2H3;.
What are the key properties of 16-methylheptadecan-1-ol;titanium?
16-methylheptadecan-1-ol;titanium has a molecular weight of 318.37 g/mol, XLogP of 6.09, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methylheptadecan-1-ol;titanium is sourced from PubChem (CID 151630620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).