(15R,19S)-15,19-dimethylheptatriacontane

C39H80 — CID 162889716

IUPAC(15R,19S)-15,19-dimethylheptatriacontane
SMILESCCCCCCCCCCCCCCCCCC[C@H](C)CCC[C@H](C)CCCCCCCCCCCCCC
InChIInChI=1S/C39H80/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-35-39(4)37-33-36-38(3)34-31-29-27-25-23-18-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3/t38-,39+/m1/s1
InChIKeyUIOJBACKAKZTKP-RGULYWFUSA-N
MW549.07 g/mol
LogP15.17
Rot. Bonds34

About (15R,19S)-15,19-dimethylheptatriacontane

(15R,19S)-15,19-dimethylheptatriacontane (PubChem CID 162889716) has the molecular formula C39H80 and a molecular weight of 549.07 g/mol. Its IUPAC name is (15R,19S)-15,19-dimethylheptatriacontane.

Molecular Properties

Compound Name(15R,19S)-15,19-dimethylheptatriacontane
PubChem CID162889716
Molecular FormulaC39H80
Molecular Weight549.07 g/mol
Exact Mass548.63
IUPAC Name(15R,19S)-15,19-dimethylheptatriacontane
SMILESCCCCCCCCCCCCCCCCCC[C@H](C)CCC[C@H](C)CCCCCCCCCCCCCC
InChIInChI=1S/C39H80/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-35-39(4)37-33-36-38(3)34-31-29-27-25-23-18-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3/t38-,39+/m1/s1
InChIKeyUIOJBACKAKZTKP-RGULYWFUSA-N
XLogP15.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.07
LogP ≤ 515.17
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
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
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077

Frequently Asked Questions

What is the IUPAC name of (15R,19S)-15,19-dimethylheptatriacontane?
The IUPAC name of (15R,19S)-15,19-dimethylheptatriacontane (CID 162889716) is (15R,19S)-15,19-dimethylheptatriacontane.
What is the SMILES notation for (15R,19S)-15,19-dimethylheptatriacontane?
The canonical SMILES for (15R,19S)-15,19-dimethylheptatriacontane is CCCCCCCCCCCCCCCCCC[C@H](C)CCC[C@H](C)CCCCCCCCCCCCCC.
What is the InChIKey of (15R,19S)-15,19-dimethylheptatriacontane?
The InChIKey is UIOJBACKAKZTKP-RGULYWFUSA-N. The full InChI is InChI=1S/C39H80/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-35-39(4)37-33-36-38(3)34-31-29-27-25-23-18-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3/t38-,39+/m1/s1.
What are the key properties of (15R,19S)-15,19-dimethylheptatriacontane?
(15R,19S)-15,19-dimethylheptatriacontane has a molecular weight of 549.07 g/mol, XLogP of 15.17, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,19S)-15,19-dimethylheptatriacontane is sourced from PubChem (CID 162889716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).