1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane

C30H58O7 — CID 175177326

IUPAC1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane
SMILESCCCCCCCOC(OC(OCCCCCCC)C(OC)=C(CCC)OC)C(OC)=C(CCC)OC
InChIInChI=1S/C30H58O7/c1-9-13-15-17-19-23-35-29(27(33-7)25(31-5)21-11-3)37-30(36-24-20-18-16-14-10-2)28(34-8)26(32-6)22-12-4/h29-30H,9-24H2,1-8H3
InChIKeyKMCQYRYHQHLTIL-UHFFFAOYSA-N
MW530.79 g/mol
LogP8.24
Rot. Bonds26

About 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane

1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane (PubChem CID 175177326) has the molecular formula C30H58O7 and a molecular weight of 530.79 g/mol. Its IUPAC name is 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane.

Molecular Properties

Compound Name1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane
PubChem CID175177326
Molecular FormulaC30H58O7
Molecular Weight530.79 g/mol
Exact Mass530.42
IUPAC Name1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane
SMILESCCCCCCCOC(OC(OCCCCCCC)C(OC)=C(CCC)OC)C(OC)=C(CCC)OC
InChIInChI=1S/C30H58O7/c1-9-13-15-17-19-23-35-29(27(33-7)25(31-5)21-11-3)37-30(36-24-20-18-16-14-10-2)28(34-8)26(32-6)22-12-4/h29-30H,9-24H2,1-8H3
InChIKeyKMCQYRYHQHLTIL-UHFFFAOYSA-N
XLogP8.24
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.79
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane?
The IUPAC name of 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane (CID 175177326) is 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane.
What is the SMILES notation for 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane?
The canonical SMILES for 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane is CCCCCCCOC(OC(OCCCCCCC)C(OC)=C(CCC)OC)C(OC)=C(CCC)OC.
What is the InChIKey of 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane?
The InChIKey is KMCQYRYHQHLTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O7/c1-9-13-15-17-19-23-35-29(27(33-7)25(31-5)21-11-3)37-30(36-24-20-18-16-14-10-2)28(34-8)26(32-6)22-12-4/h29-30H,9-24H2,1-8H3.
What are the key properties of 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane?
1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane has a molecular weight of 530.79 g/mol, XLogP of 8.24, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-heptoxy-2,3-dimethoxyhex-2-enoxy)-2,3-dimethoxyhex-2-enoxy]heptane is sourced from PubChem (CID 175177326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).