10,10-dipropoxyicosane

C26H54O2 — CID 150666261

IUPAC10,10-dipropoxyicosane
SMILESCCCCCCCCCCC(CCCCCCCCC)(OCCC)OCCC
InChIInChI=1S/C26H54O2/c1-5-9-11-13-15-17-19-21-23-26(27-24-7-3,28-25-8-4)22-20-18-16-14-12-10-6-2/h5-25H2,1-4H3
InChIKeyJEXXOBLWSNHZAJ-UHFFFAOYSA-N
MW398.72 g/mol
LogP9.21
Rot. Bonds23

About 10,10-dipropoxyicosane

10,10-dipropoxyicosane (PubChem CID 150666261) has the molecular formula C26H54O2 and a molecular weight of 398.72 g/mol. Its IUPAC name is 10,10-dipropoxyicosane.

Molecular Properties

Compound Name10,10-dipropoxyicosane
PubChem CID150666261
Molecular FormulaC26H54O2
Molecular Weight398.72 g/mol
Exact Mass398.41
IUPAC Name10,10-dipropoxyicosane
SMILESCCCCCCCCCCC(CCCCCCCCC)(OCCC)OCCC
InChIInChI=1S/C26H54O2/c1-5-9-11-13-15-17-19-21-23-26(27-24-7-3,28-25-8-4)22-20-18-16-14-12-10-6-2/h5-25H2,1-4H3
InChIKeyJEXXOBLWSNHZAJ-UHFFFAOYSA-N
XLogP9.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 59.21
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'}

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Related Compounds

6,6-dipropoxydodecane
CID 89440027
4,4-dipentoxytridecane
CID 150402661
1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
5,5-dibutoxynonane
CID 89440038
3,3-diethoxy-1-propoxydodecane
CID 172848936
2,2-dipropoxyoctane
CID 89440090
5-methoxy-5-pentoxytetradecane
CID 161410500
7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane
CID 175370963
3-[1,3-di(tetradecoxy)hexadecan-3-yloxy]-1,3-di(tetradecoxy)hexadecane
CID 166067358
3,3-dimethoxynonane
CID 14785776
10-decoxy-10-nonylnonadecane
CID 150430521
3,3-diethoxyoctane
CID 89440562

Frequently Asked Questions

What is the IUPAC name of 10,10-dipropoxyicosane?
The IUPAC name of 10,10-dipropoxyicosane (CID 150666261) is 10,10-dipropoxyicosane.
What is the SMILES notation for 10,10-dipropoxyicosane?
The canonical SMILES for 10,10-dipropoxyicosane is CCCCCCCCCCC(CCCCCCCCC)(OCCC)OCCC.
What is the InChIKey of 10,10-dipropoxyicosane?
The InChIKey is JEXXOBLWSNHZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O2/c1-5-9-11-13-15-17-19-21-23-26(27-24-7-3,28-25-8-4)22-20-18-16-14-12-10-6-2/h5-25H2,1-4H3.
What are the key properties of 10,10-dipropoxyicosane?
10,10-dipropoxyicosane has a molecular weight of 398.72 g/mol, XLogP of 9.21, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dipropoxyicosane is sourced from PubChem (CID 150666261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).