1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene

C24H46O7 — CID 175165112

IUPAC1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene
SMILESCCCCC(OCC)=C(OCC)C(OC)OC(OC)C(OCC)=C(CCCC)OCC
InChIInChI=1S/C24H46O7/c1-9-15-17-19(27-11-3)21(29-13-5)23(25-7)31-24(26-8)22(30-14-6)20(28-12-4)18-16-10-2/h23-24H,9-18H2,1-8H3
InChIKeyAREOIHDIZGODFP-UHFFFAOYSA-N
MW446.63 g/mol
LogP5.90
Rot. Bonds20

About 1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene

1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene (PubChem CID 175165112) has the molecular formula C24H46O7 and a molecular weight of 446.63 g/mol. Its IUPAC name is 1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene.

Molecular Properties

Compound Name1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene
PubChem CID175165112
Molecular FormulaC24H46O7
Molecular Weight446.63 g/mol
Exact Mass446.32
IUPAC Name1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene
SMILESCCCCC(OCC)=C(OCC)C(OC)OC(OC)C(OCC)=C(CCCC)OCC
InChIInChI=1S/C24H46O7/c1-9-15-17-19(27-11-3)21(29-13-5)23(25-7)31-24(26-8)22(30-14-6)20(28-12-4)18-16-10-2/h23-24H,9-18H2,1-8H3
InChIKeyAREOIHDIZGODFP-UHFFFAOYSA-N
XLogP5.90
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene?
The IUPAC name of 1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene (CID 175165112) is 1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene.
What is the SMILES notation for 1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene?
The canonical SMILES for 1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene is CCCCC(OCC)=C(OCC)C(OC)OC(OC)C(OCC)=C(CCCC)OCC.
What is the InChIKey of 1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene?
The InChIKey is AREOIHDIZGODFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O7/c1-9-15-17-19(27-11-3)21(29-13-5)23(25-7)31-24(26-8)22(30-14-6)20(28-12-4)18-16-10-2/h23-24H,9-18H2,1-8H3.
What are the key properties of 1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene?
1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene has a molecular weight of 446.63 g/mol, XLogP of 5.90, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethoxy-1-methoxyhept-2-enoxy)-2,3-diethoxy-1-methoxyhept-2-ene is sourced from PubChem (CID 175165112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).