3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane

C24H50O3 — CID 58682929

IUPAC3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane
SMILESCC(CCOCCCOCCCOCCC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C24H50O3/c1-21(19-23(3,4)5)11-17-26-15-9-13-25-14-10-16-27-18-12-22(2)20-24(6,7)8/h21-22H,9-20H2,1-8H3
InChIKeyFHQNCDVMSCFGEN-UHFFFAOYSA-N
MW386.66 g/mol
LogP6.74
Rot. Bonds16

About 3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane

3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane (PubChem CID 58682929) has the molecular formula C24H50O3 and a molecular weight of 386.66 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane.

Molecular Properties

Compound Name3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane
PubChem CID58682929
Molecular FormulaC24H50O3
Molecular Weight386.66 g/mol
Exact Mass386.38
IUPAC Name3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane
SMILESCC(CCOCCCOCCCOCCC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C24H50O3/c1-21(19-23(3,4)5)11-17-26-15-9-13-25-14-10-16-27-18-12-22(2)20-24(6,7)8/h21-22H,9-20H2,1-8H3
InChIKeyFHQNCDVMSCFGEN-UHFFFAOYSA-N
XLogP6.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane?
The IUPAC name of 3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane (CID 58682929) is 3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane.
What is the SMILES notation for 3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane?
The canonical SMILES for 3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane is CC(CCOCCCOCCCOCCC(C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane?
The InChIKey is FHQNCDVMSCFGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3/c1-21(19-23(3,4)5)11-17-26-15-9-13-25-14-10-16-27-18-12-22(2)20-24(6,7)8/h21-22H,9-20H2,1-8H3.
What are the key properties of 3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane?
3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane has a molecular weight of 386.66 g/mol, XLogP of 6.74, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]hexane is sourced from PubChem (CID 58682929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).