6-ethyl-7,7,8-tripentyltridecane

C30H62 — CID 173380520

IUPAC6-ethyl-7,7,8-tripentyltridecane
SMILESCCCCCC(CC)C(CCCCC)(CCCCC)C(CCCCC)CCCCC
InChIInChI=1S/C30H62/c1-7-13-18-23-28(12-6)30(26-21-16-10-4,27-22-17-11-5)29(24-19-14-8-2)25-20-15-9-3/h28-29H,7-27H2,1-6H3
InChIKeyZCCLDGLYLPOVTN-UHFFFAOYSA-N
MW422.83 g/mol
LogP11.52
Rot. Bonds23

About 6-ethyl-7,7,8-tripentyltridecane

6-ethyl-7,7,8-tripentyltridecane (PubChem CID 173380520) has the molecular formula C30H62 and a molecular weight of 422.83 g/mol. Its IUPAC name is 6-ethyl-7,7,8-tripentyltridecane.

Molecular Properties

Compound Name6-ethyl-7,7,8-tripentyltridecane
PubChem CID173380520
Molecular FormulaC30H62
Molecular Weight422.83 g/mol
Exact Mass422.49
IUPAC Name6-ethyl-7,7,8-tripentyltridecane
SMILESCCCCCC(CC)C(CCCCC)(CCCCC)C(CCCCC)CCCCC
InChIInChI=1S/C30H62/c1-7-13-18-23-28(12-6)30(26-21-16-10-4,27-22-17-11-5)29(24-19-14-8-2)25-20-15-9-3/h28-29H,7-27H2,1-6H3
InChIKeyZCCLDGLYLPOVTN-UHFFFAOYSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7,7,8-tripentyltridecane?
The IUPAC name of 6-ethyl-7,7,8-tripentyltridecane (CID 173380520) is 6-ethyl-7,7,8-tripentyltridecane.
What is the SMILES notation for 6-ethyl-7,7,8-tripentyltridecane?
The canonical SMILES for 6-ethyl-7,7,8-tripentyltridecane is CCCCCC(CC)C(CCCCC)(CCCCC)C(CCCCC)CCCCC.
What is the InChIKey of 6-ethyl-7,7,8-tripentyltridecane?
The InChIKey is ZCCLDGLYLPOVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62/c1-7-13-18-23-28(12-6)30(26-21-16-10-4,27-22-17-11-5)29(24-19-14-8-2)25-20-15-9-3/h28-29H,7-27H2,1-6H3.
What are the key properties of 6-ethyl-7,7,8-tripentyltridecane?
6-ethyl-7,7,8-tripentyltridecane has a molecular weight of 422.83 g/mol, XLogP of 11.52, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7,7,8-tripentyltridecane is sourced from PubChem (CID 173380520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).