4-tridecan-4-yloxytridecane

C26H54O — CID 56606801

IUPAC4-tridecan-4-yloxytridecane
SMILESCCCCCCCCCC(CCC)OC(CCC)CCCCCCCCC
InChIInChI=1S/C26H54O/c1-5-9-11-13-15-17-19-23-25(21-7-3)27-26(22-8-4)24-20-18-16-14-12-10-6-2/h25-26H,5-24H2,1-4H3
InChIKeyKHAVXHINBNNYGO-UHFFFAOYSA-N
MW382.72 g/mol
LogP9.62
Rot. Bonds22

About 4-tridecan-4-yloxytridecane

4-tridecan-4-yloxytridecane (PubChem CID 56606801) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is 4-tridecan-4-yloxytridecane.

Molecular Properties

Compound Name4-tridecan-4-yloxytridecane
PubChem CID56606801
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name4-tridecan-4-yloxytridecane
SMILESCCCCCCCCCC(CCC)OC(CCC)CCCCCCCCC
InChIInChI=1S/C26H54O/c1-5-9-11-13-15-17-19-23-25(21-7-3)27-26(22-8-4)24-20-18-16-14-12-10-6-2/h25-26H,5-24H2,1-4H3
InChIKeyKHAVXHINBNNYGO-UHFFFAOYSA-N
XLogP9.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tridecan-4-yloxytridecane?
The IUPAC name of 4-tridecan-4-yloxytridecane (CID 56606801) is 4-tridecan-4-yloxytridecane.
What is the SMILES notation for 4-tridecan-4-yloxytridecane?
The canonical SMILES for 4-tridecan-4-yloxytridecane is CCCCCCCCCC(CCC)OC(CCC)CCCCCCCCC.
What is the InChIKey of 4-tridecan-4-yloxytridecane?
The InChIKey is KHAVXHINBNNYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O/c1-5-9-11-13-15-17-19-23-25(21-7-3)27-26(22-8-4)24-20-18-16-14-12-10-6-2/h25-26H,5-24H2,1-4H3.
What are the key properties of 4-tridecan-4-yloxytridecane?
4-tridecan-4-yloxytridecane has a molecular weight of 382.72 g/mol, XLogP of 9.62, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tridecan-4-yloxytridecane is sourced from PubChem (CID 56606801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).