1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene

C24H46O7 — CID 162350431

IUPAC1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene
SMILESCCOC(C=CCCC(OCC)OCC)OC(C=CCCC(OCC)OCC)OCC
InChIInChI=1S/C24H46O7/c1-7-25-21(26-8-2)17-13-15-19-23(29-11-5)31-24(30-12-6)20-16-14-18-22(27-9-3)28-10-4/h15-16,19-24H,7-14,17-18H2,1-6H3
InChIKeyVQJPPNVTFNMXOT-UHFFFAOYSA-N
MW446.63 g/mol
LogP5.20
Rot. Bonds22

About 1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene

1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene (PubChem CID 162350431) has the molecular formula C24H46O7 and a molecular weight of 446.63 g/mol. Its IUPAC name is 1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene.

Molecular Properties

Compound Name1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene
PubChem CID162350431
Molecular FormulaC24H46O7
Molecular Weight446.63 g/mol
Exact Mass446.32
IUPAC Name1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene
SMILESCCOC(C=CCCC(OCC)OCC)OC(C=CCCC(OCC)OCC)OCC
InChIInChI=1S/C24H46O7/c1-7-25-21(26-8-2)17-13-15-19-23(29-11-5)31-24(30-12-6)20-16-14-18-22(27-9-3)28-10-4/h15-16,19-24H,7-14,17-18H2,1-6H3
InChIKeyVQJPPNVTFNMXOT-UHFFFAOYSA-N
XLogP5.20
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene?
The IUPAC name of 1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene (CID 162350431) is 1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene.
What is the SMILES notation for 1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene?
The canonical SMILES for 1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene is CCOC(C=CCCC(OCC)OCC)OC(C=CCCC(OCC)OCC)OCC.
What is the InChIKey of 1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene?
The InChIKey is VQJPPNVTFNMXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O7/c1-7-25-21(26-8-2)17-13-15-19-23(29-11-5)31-24(30-12-6)20-16-14-18-22(27-9-3)28-10-4/h15-16,19-24H,7-14,17-18H2,1-6H3.
What are the key properties of 1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene?
1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene has a molecular weight of 446.63 g/mol, XLogP of 5.20, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene is sourced from PubChem (CID 162350431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).