7,11,21-trimethylhentriacontane

C34H70 — CID 6430672

IUPAC7,11,21-trimethylhentriacontane
SMILESCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCC(C)CCCCCC
InChIInChI=1S/C34H70/c1-6-8-10-12-13-15-18-22-27-32(3)28-23-19-16-14-17-20-24-29-34(5)31-25-30-33(4)26-21-11-9-7-2/h32-34H,6-31H2,1-5H3
InChIKeyFVDQUURFXQOOPC-UHFFFAOYSA-N
MW478.93 g/mol
LogP13.08
Rot. Bonds28

About 7,11,21-trimethylhentriacontane

7,11,21-trimethylhentriacontane (PubChem CID 6430672) has the molecular formula C34H70 and a molecular weight of 478.93 g/mol. Its IUPAC name is 7,11,21-trimethylhentriacontane.

Molecular Properties

Compound Name7,11,21-trimethylhentriacontane
PubChem CID6430672
Molecular FormulaC34H70
Molecular Weight478.93 g/mol
Exact Mass478.55
IUPAC Name7,11,21-trimethylhentriacontane
SMILESCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCC(C)CCCCCC
InChIInChI=1S/C34H70/c1-6-8-10-12-13-15-18-22-27-32(3)28-23-19-16-14-17-20-24-29-34(5)31-25-30-33(4)26-21-11-9-7-2/h32-34H,6-31H2,1-5H3
InChIKeyFVDQUURFXQOOPC-UHFFFAOYSA-N
XLogP13.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 513.08
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

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
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077

Frequently Asked Questions

What is the IUPAC name of 7,11,21-trimethylhentriacontane?
The IUPAC name of 7,11,21-trimethylhentriacontane (CID 6430672) is 7,11,21-trimethylhentriacontane.
What is the SMILES notation for 7,11,21-trimethylhentriacontane?
The canonical SMILES for 7,11,21-trimethylhentriacontane is CCCCCCCCCCC(C)CCCCCCCCCC(C)CCCC(C)CCCCCC.
What is the InChIKey of 7,11,21-trimethylhentriacontane?
The InChIKey is FVDQUURFXQOOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70/c1-6-8-10-12-13-15-18-22-27-32(3)28-23-19-16-14-17-20-24-29-34(5)31-25-30-33(4)26-21-11-9-7-2/h32-34H,6-31H2,1-5H3.
What are the key properties of 7,11,21-trimethylhentriacontane?
7,11,21-trimethylhentriacontane has a molecular weight of 478.93 g/mol, XLogP of 13.08, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11,21-trimethylhentriacontane is sourced from PubChem (CID 6430672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).