16,17-dimethyltritriacontane

C35H72 — CID 91506561

IUPAC16,17-dimethyltritriacontane
SMILESCCCCCCCCCCCCCCCCC(C)C(C)CCCCCCCCCCCCCCC
InChIInChI=1S/C35H72/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(4)34(3)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3
InChIKeyLSPOVSMYZQMSDO-UHFFFAOYSA-N
MW492.96 g/mol
LogP13.61
Rot. Bonds30

About 16,17-dimethyltritriacontane

16,17-dimethyltritriacontane (PubChem CID 91506561) has the molecular formula C35H72 and a molecular weight of 492.96 g/mol. Its IUPAC name is 16,17-dimethyltritriacontane.

Molecular Properties

Compound Name16,17-dimethyltritriacontane
PubChem CID91506561
Molecular FormulaC35H72
Molecular Weight492.96 g/mol
Exact Mass492.56
IUPAC Name16,17-dimethyltritriacontane
SMILESCCCCCCCCCCCCCCCCC(C)C(C)CCCCCCCCCCCCCCC
InChIInChI=1S/C35H72/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(4)34(3)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3
InChIKeyLSPOVSMYZQMSDO-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 513.61
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 173430605
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11,12-dimethyloctacosane
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8,9-dimethylhexacosane
CID 160651612
4,5-dimethylnonadecane
CID 123321090
5,6,14,15-tetramethylnonadecane
CID 123473711
2,3,14,15-tetramethylhenicosane
CID 123460288
3,4-dimethyldecane;ethane
CID 170980289
2,3-dimethylnonacosane
CID 71331945
8,11,12-trimethyltricosane
CID 175564994
2,3-dimethylpentadecan-1-amine
CID 81010439
2,4,5-trimethyldodecane
CID 123969029

Frequently Asked Questions

What is the IUPAC name of 16,17-dimethyltritriacontane?
The IUPAC name of 16,17-dimethyltritriacontane (CID 91506561) is 16,17-dimethyltritriacontane.
What is the SMILES notation for 16,17-dimethyltritriacontane?
The canonical SMILES for 16,17-dimethyltritriacontane is CCCCCCCCCCCCCCCCC(C)C(C)CCCCCCCCCCCCCCC.
What is the InChIKey of 16,17-dimethyltritriacontane?
The InChIKey is LSPOVSMYZQMSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(4)34(3)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3.
What are the key properties of 16,17-dimethyltritriacontane?
16,17-dimethyltritriacontane has a molecular weight of 492.96 g/mol, XLogP of 13.61, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16,17-dimethyltritriacontane is sourced from PubChem (CID 91506561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).