9,13,14,17-tetramethyltriacontane

C34H70 — CID 173157426

IUPAC9,13,14,17-tetramethyltriacontane
SMILESCCCCCCCCCCCCCC(C)CCC(C)C(C)CCCC(C)CCCCCCCC
InChIInChI=1S/C34H70/c1-7-9-11-13-15-16-17-18-19-21-23-26-32(4)29-30-34(6)33(5)28-24-27-31(3)25-22-20-14-12-10-8-2/h31-34H,7-30H2,1-6H3
InChIKeyJWMGVKSICFFDKT-UHFFFAOYSA-N
MW478.93 g/mol
LogP12.93
Rot. Bonds27

About 9,13,14,17-tetramethyltriacontane

9,13,14,17-tetramethyltriacontane (PubChem CID 173157426) has the molecular formula C34H70 and a molecular weight of 478.93 g/mol. Its IUPAC name is 9,13,14,17-tetramethyltriacontane.

Molecular Properties

Compound Name9,13,14,17-tetramethyltriacontane
PubChem CID173157426
Molecular FormulaC34H70
Molecular Weight478.93 g/mol
Exact Mass478.55
IUPAC Name9,13,14,17-tetramethyltriacontane
SMILESCCCCCCCCCCCCCC(C)CCC(C)C(C)CCCC(C)CCCCCCCC
InChIInChI=1S/C34H70/c1-7-9-11-13-15-16-17-18-19-21-23-26-32(4)29-30-34(6)33(5)28-24-27-31(3)25-22-20-14-12-10-8-2/h31-34H,7-30H2,1-6H3
InChIKeyJWMGVKSICFFDKT-UHFFFAOYSA-N
XLogP12.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 512.93
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

8,11,12-trimethyltricosane
CID 175564994
7,11-dimethylpentatriacontane
CID 6430674
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046
10,14,18-trimethyldotriacontane
CID 86017574
10,14-dimethyltetratriacontane
CID 86017565
11,15-dimethyltritriacontane
CID 521778
6,10-dimethyloctadecane
CID 86144179
6,10,24,28-tetramethyloctatriacontane
CID 6430659
7,11,21-trimethylhentriacontane
CID 6430672

Frequently Asked Questions

What is the IUPAC name of 9,13,14,17-tetramethyltriacontane?
The IUPAC name of 9,13,14,17-tetramethyltriacontane (CID 173157426) is 9,13,14,17-tetramethyltriacontane.
What is the SMILES notation for 9,13,14,17-tetramethyltriacontane?
The canonical SMILES for 9,13,14,17-tetramethyltriacontane is CCCCCCCCCCCCCC(C)CCC(C)C(C)CCCC(C)CCCCCCCC.
What is the InChIKey of 9,13,14,17-tetramethyltriacontane?
The InChIKey is JWMGVKSICFFDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70/c1-7-9-11-13-15-16-17-18-19-21-23-26-32(4)29-30-34(6)33(5)28-24-27-31(3)25-22-20-14-12-10-8-2/h31-34H,7-30H2,1-6H3.
What are the key properties of 9,13,14,17-tetramethyltriacontane?
9,13,14,17-tetramethyltriacontane has a molecular weight of 478.93 g/mol, XLogP of 12.93, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13,14,17-tetramethyltriacontane is sourced from PubChem (CID 173157426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).