19-methylideneheptatriacontane;titanium

C38H76Ti — CID 174477367

IUPAC19-methylideneheptatriacontane;titanium
SMILESC=C(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[Ti]
InChIInChI=1S/C38H76.Ti/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h3-37H2,1-2H3;
InChIKeyICRUCZQQOKBXMM-UHFFFAOYSA-N
MW580.89 g/mol
LogP14.84
Rot. Bonds34

About 19-methylideneheptatriacontane;titanium

19-methylideneheptatriacontane;titanium (PubChem CID 174477367) has the molecular formula C38H76Ti and a molecular weight of 580.89 g/mol. Its IUPAC name is 19-methylideneheptatriacontane;titanium.

Molecular Properties

Compound Name19-methylideneheptatriacontane;titanium
PubChem CID174477367
Molecular FormulaC38H76Ti
Molecular Weight580.89 g/mol
Exact Mass580.54
IUPAC Name19-methylideneheptatriacontane;titanium
SMILESC=C(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[Ti]
InChIInChI=1S/C38H76.Ti/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h3-37H2,1-2H3;
InChIKeyICRUCZQQOKBXMM-UHFFFAOYSA-N
XLogP14.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.89
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
3,8-dimethylidenetetradecane
CID 173410299
3-methylidenedecane
CID 21453024
2-methylidenepentadecan-1-ol
CID 10847661
8-methylidene-N-octyloctadecan-1-amine
CID 153397444
2-methyl-5-methylideneundecane
CID 54320712
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
dodecanoic acid;5-methylidenenonane
CID 87640526
17-methylidenetricosan-9-amine
CID 129036120

Frequently Asked Questions

What is the IUPAC name of 19-methylideneheptatriacontane;titanium?
The IUPAC name of 19-methylideneheptatriacontane;titanium (CID 174477367) is 19-methylideneheptatriacontane;titanium.
What is the SMILES notation for 19-methylideneheptatriacontane;titanium?
The canonical SMILES for 19-methylideneheptatriacontane;titanium is C=C(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[Ti].
What is the InChIKey of 19-methylideneheptatriacontane;titanium?
The InChIKey is ICRUCZQQOKBXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76.Ti/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h3-37H2,1-2H3;.
What are the key properties of 19-methylideneheptatriacontane;titanium?
19-methylideneheptatriacontane;titanium has a molecular weight of 580.89 g/mol, XLogP of 14.84, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methylideneheptatriacontane;titanium is sourced from PubChem (CID 174477367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).