9-ethyl-11-methyl-10-octylnonadecane

C30H62 — CID 175467695

IUPAC9-ethyl-11-methyl-10-octylnonadecane
SMILESCCCCCCCCC(C)C(CCCCCCCC)C(CC)CCCCCCCC
InChIInChI=1S/C30H62/c1-6-10-13-16-19-22-25-28(5)30(27-24-21-18-15-12-8-3)29(9-4)26-23-20-17-14-11-7-2/h28-30H,6-27H2,1-5H3
InChIKeyYHEUHIQTMBJELI-UHFFFAOYSA-N
MW422.83 g/mol
LogP11.52
Rot. Bonds24

About 9-ethyl-11-methyl-10-octylnonadecane

9-ethyl-11-methyl-10-octylnonadecane (PubChem CID 175467695) has the molecular formula C30H62 and a molecular weight of 422.83 g/mol. Its IUPAC name is 9-ethyl-11-methyl-10-octylnonadecane.

Molecular Properties

Compound Name9-ethyl-11-methyl-10-octylnonadecane
PubChem CID175467695
Molecular FormulaC30H62
Molecular Weight422.83 g/mol
Exact Mass422.49
IUPAC Name9-ethyl-11-methyl-10-octylnonadecane
SMILESCCCCCCCCC(C)C(CCCCCCCC)C(CC)CCCCCCCC
InChIInChI=1S/C30H62/c1-6-10-13-16-19-22-25-28(5)30(27-24-21-18-15-12-8-3)29(9-4)26-23-20-17-14-11-7-2/h28-30H,6-27H2,1-5H3
InChIKeyYHEUHIQTMBJELI-UHFFFAOYSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.83
LogP ≤ 511.52
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

9-ethyl-3,4,7-trimethyl-8-pentyltetradecane
CID 91411258
4-ethyl-5-pentan-2-yldecane
CID 123912945
8-ethyl-7-methylhexadecane
CID 56974440
9,10-diethyloctadecane
CID 530164
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
6-ethyl-7-pentyltetradecane
CID 123140274
4-ethyl-3-methylundecane
CID 57279647
5-butyl-6-ethyldodecane
CID 529932
8-methyl-7-pentylhexadecane
CID 123739023
11-butyl-8,10,12-trimethyl-9-pentyltricosane
CID 123560008
4,5-diethyl-2,3-dimethylundecane
CID 90755621

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-11-methyl-10-octylnonadecane?
The IUPAC name of 9-ethyl-11-methyl-10-octylnonadecane (CID 175467695) is 9-ethyl-11-methyl-10-octylnonadecane.
What is the SMILES notation for 9-ethyl-11-methyl-10-octylnonadecane?
The canonical SMILES for 9-ethyl-11-methyl-10-octylnonadecane is CCCCCCCCC(C)C(CCCCCCCC)C(CC)CCCCCCCC.
What is the InChIKey of 9-ethyl-11-methyl-10-octylnonadecane?
The InChIKey is YHEUHIQTMBJELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62/c1-6-10-13-16-19-22-25-28(5)30(27-24-21-18-15-12-8-3)29(9-4)26-23-20-17-14-11-7-2/h28-30H,6-27H2,1-5H3.
What are the key properties of 9-ethyl-11-methyl-10-octylnonadecane?
9-ethyl-11-methyl-10-octylnonadecane has a molecular weight of 422.83 g/mol, XLogP of 11.52, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-11-methyl-10-octylnonadecane is sourced from PubChem (CID 175467695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).