4,4-dipentoxytridecane

C23H48O2 — CID 150402661

IUPAC4,4-dipentoxytridecane
SMILESCCCCCCCCCC(CCC)(OCCCCC)OCCCCC
InChIInChI=1S/C23H48O2/c1-5-9-12-13-14-15-16-20-23(19-8-4,24-21-17-10-6-2)25-22-18-11-7-3/h5-22H2,1-4H3
InChIKeyHECCTWZEILYKTM-UHFFFAOYSA-N
MW356.64 g/mol
LogP8.04
Rot. Bonds20

About 4,4-dipentoxytridecane

4,4-dipentoxytridecane (PubChem CID 150402661) has the molecular formula C23H48O2 and a molecular weight of 356.64 g/mol. Its IUPAC name is 4,4-dipentoxytridecane.

Molecular Properties

Compound Name4,4-dipentoxytridecane
PubChem CID150402661
Molecular FormulaC23H48O2
Molecular Weight356.64 g/mol
Exact Mass356.37
IUPAC Name4,4-dipentoxytridecane
SMILESCCCCCCCCCC(CCC)(OCCCCC)OCCCCC
InChIInChI=1S/C23H48O2/c1-5-9-12-13-14-15-16-20-23(19-8-4,24-21-17-10-6-2)25-22-18-11-7-3/h5-22H2,1-4H3
InChIKeyHECCTWZEILYKTM-UHFFFAOYSA-N
XLogP8.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,4-dipentoxytridecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
10,10-dipropoxyicosane
CID 150666261
6,6-dipropoxydodecane
CID 89440027
5-methoxy-5-pentoxytetradecane
CID 161410500
7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane
CID 175370963
5,5-dibutoxynonane
CID 89440038
3-[1,3-di(tetradecoxy)hexadecan-3-yloxy]-1,3-di(tetradecoxy)hexadecane
CID 166067358
2,2-di(tetradecoxy)pentyl-hydroxy-dimethylazanium
CID 168895728
10-decoxy-10-nonylnonadecane
CID 150430521
9-heptoxy-9-methylhenicosane
CID 91127088
2-dodecoxy-2-methyltetradecane
CID 158074564
1-decoxydecane-1,1-diamine
CID 87410137

Frequently Asked Questions

What is the IUPAC name of 4,4-dipentoxytridecane?
The IUPAC name of 4,4-dipentoxytridecane (CID 150402661) is 4,4-dipentoxytridecane.
What is the SMILES notation for 4,4-dipentoxytridecane?
The canonical SMILES for 4,4-dipentoxytridecane is CCCCCCCCCC(CCC)(OCCCCC)OCCCCC.
What is the InChIKey of 4,4-dipentoxytridecane?
The InChIKey is HECCTWZEILYKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2/c1-5-9-12-13-14-15-16-20-23(19-8-4,24-21-17-10-6-2)25-22-18-11-7-3/h5-22H2,1-4H3.
What are the key properties of 4,4-dipentoxytridecane?
4,4-dipentoxytridecane has a molecular weight of 356.64 g/mol, XLogP of 8.04, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dipentoxytridecane is sourced from PubChem (CID 150402661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).