4,5-diethyl-2,3-dimethylundecane

C17H36 — CID 90755621

IUPAC4,5-diethyl-2,3-dimethylundecane
SMILESCCCCCCC(CC)C(CC)C(C)C(C)C
InChIInChI=1S/C17H36/c1-7-10-11-12-13-16(8-2)17(9-3)15(6)14(4)5/h14-17H,7-13H2,1-6H3
InChIKeyZPHRHSXOMUJXFC-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.30
Rot. Bonds10

About 4,5-diethyl-2,3-dimethylundecane

4,5-diethyl-2,3-dimethylundecane (PubChem CID 90755621) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 4,5-diethyl-2,3-dimethylundecane.

Molecular Properties

Compound Name4,5-diethyl-2,3-dimethylundecane
PubChem CID90755621
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name4,5-diethyl-2,3-dimethylundecane
SMILESCCCCCCC(CC)C(CC)C(C)C(C)C
InChIInChI=1S/C17H36/c1-7-10-11-12-13-16(8-2)17(9-3)15(6)14(4)5/h14-17H,7-13H2,1-6H3
InChIKeyZPHRHSXOMUJXFC-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.30
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

4-ethyl-2,3,9-trimethylhexadecane
CID 123304219
5-(3-methylbutan-2-yl)tridecane
CID 123909892
9-ethyl-11-methyl-10-octylnonadecane
CID 175467695
9,10-diethyloctadecane
CID 530164
6-ethyl-7-pentyltetradecane
CID 123140274
19-heptadecan-3-ylnonatriacontane
CID 57212477
8-propan-2-ylpentadecane
CID 153475308
5,6-diethyldodecane
CID 90761715
6-propan-2-yltridecane
CID 123704479
8-ethyl-7-methylhexadecane
CID 56974440
4-ethyl-3-methylundecane
CID 57279647
5-butyl-6-ethyldodecane
CID 529932

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2,3-dimethylundecane?
The IUPAC name of 4,5-diethyl-2,3-dimethylundecane (CID 90755621) is 4,5-diethyl-2,3-dimethylundecane.
What is the SMILES notation for 4,5-diethyl-2,3-dimethylundecane?
The canonical SMILES for 4,5-diethyl-2,3-dimethylundecane is CCCCCCC(CC)C(CC)C(C)C(C)C.
What is the InChIKey of 4,5-diethyl-2,3-dimethylundecane?
The InChIKey is ZPHRHSXOMUJXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-7-10-11-12-13-16(8-2)17(9-3)15(6)14(4)5/h14-17H,7-13H2,1-6H3.
What are the key properties of 4,5-diethyl-2,3-dimethylundecane?
4,5-diethyl-2,3-dimethylundecane has a molecular weight of 240.47 g/mol, XLogP of 6.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2,3-dimethylundecane is sourced from PubChem (CID 90755621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).