2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene

C40H58O6 — CID 150828913

IUPAC2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene
SMILESCCCCCCCCCC(C1C(OCC)=C(OCC)c2c(OCC)cccc21)C1C(OCC)=C(OCC)c2c(OCC)cccc21
InChIInChI=1S/C40H58O6/c1-8-15-16-17-18-19-20-23-28(33-29-24-21-26-31(41-9-2)35(29)39(45-13-6)37(33)43-11-4)34-30-25-22-27-32(42-10-3)36(30)40(46-14-7)38(34)44-12-5/h21-22,24-28,33-34H,8-20,23H2,1-7H3
InChIKeyKLNJVOYDKNMRPG-UHFFFAOYSA-N
MW634.90 g/mol
LogP10.62
Rot. Bonds22

About 2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene

2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene (PubChem CID 150828913) has the molecular formula C40H58O6 and a molecular weight of 634.90 g/mol. Its IUPAC name is 2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene.

Molecular Properties

Compound Name2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene
PubChem CID150828913
Molecular FormulaC40H58O6
Molecular Weight634.90 g/mol
Exact Mass634.42
IUPAC Name2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene
SMILESCCCCCCCCCC(C1C(OCC)=C(OCC)c2c(OCC)cccc21)C1C(OCC)=C(OCC)c2c(OCC)cccc21
InChIInChI=1S/C40H58O6/c1-8-15-16-17-18-19-20-23-28(33-29-24-21-26-31(41-9-2)35(29)39(45-13-6)37(33)43-11-4)34-30-25-22-27-32(42-10-3)36(30)40(46-14-7)38(34)44-12-5/h21-22,24-28,33-34H,8-20,23H2,1-7H3
InChIKeyKLNJVOYDKNMRPG-UHFFFAOYSA-N
XLogP10.62
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.90
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene?
The IUPAC name of 2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene (CID 150828913) is 2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene.
What is the SMILES notation for 2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene?
The canonical SMILES for 2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene is CCCCCCCCCC(C1C(OCC)=C(OCC)c2c(OCC)cccc21)C1C(OCC)=C(OCC)c2c(OCC)cccc21.
What is the InChIKey of 2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene?
The InChIKey is KLNJVOYDKNMRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58O6/c1-8-15-16-17-18-19-20-23-28(33-29-24-21-26-31(41-9-2)35(29)39(45-13-6)37(33)43-11-4)34-30-25-22-27-32(42-10-3)36(30)40(46-14-7)38(34)44-12-5/h21-22,24-28,33-34H,8-20,23H2,1-7H3.
What are the key properties of 2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene?
2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene has a molecular weight of 634.90 g/mol, XLogP of 10.62, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triethoxy-1-[1-(2,3,4-triethoxy-1H-inden-1-yl)decyl]-1H-indene is sourced from PubChem (CID 150828913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).