2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane

C29H44Si — CID 175418999

IUPAC2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane
SMILESC=CCC1=C(CC=C)C(CC=C)C(CC=C)(CC[Si](C)(C)C)C(CC=C)=C1CC=C
InChIInChI=1S/C29H44Si/c1-10-16-24-25(17-11-2)27(19-13-4)29(21-15-6,22-23-30(7,8)9)28(20-14-5)26(24)18-12-3/h10-15,27H,1-6,16-23H2,7-9H3
InChIKeyOICNPLLMJVKDHS-UHFFFAOYSA-N
MW420.76 g/mol
LogP9.38
Rot. Bonds15

About 2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane

2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane (PubChem CID 175418999) has the molecular formula C29H44Si and a molecular weight of 420.76 g/mol. Its IUPAC name is 2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane
PubChem CID175418999
Molecular FormulaC29H44Si
Molecular Weight420.76 g/mol
Exact Mass420.32
IUPAC Name2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane
SMILESC=CCC1=C(CC=C)C(CC=C)C(CC=C)(CC[Si](C)(C)C)C(CC=C)=C1CC=C
InChIInChI=1S/C29H44Si/c1-10-16-24-25(17-11-2)27(19-13-4)29(21-15-6,22-23-30(7,8)9)28(20-14-5)26(24)18-12-3/h10-15,27H,1-6,16-23H2,7-9H3
InChIKeyOICNPLLMJVKDHS-UHFFFAOYSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.76
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane?
The IUPAC name of 2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane (CID 175418999) is 2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane.
What is the SMILES notation for 2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane?
The canonical SMILES for 2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane is C=CCC1=C(CC=C)C(CC=C)C(CC=C)(CC[Si](C)(C)C)C(CC=C)=C1CC=C.
What is the InChIKey of 2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane?
The InChIKey is OICNPLLMJVKDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44Si/c1-10-16-24-25(17-11-2)27(19-13-4)29(21-15-6,22-23-30(7,8)9)28(20-14-5)26(24)18-12-3/h10-15,27H,1-6,16-23H2,7-9H3.
What are the key properties of 2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane?
2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane has a molecular weight of 420.76 g/mol, XLogP of 9.38, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,3,4,5,6-hexakis(prop-2-enyl)cyclohexa-2,4-dien-1-yl]ethyl-trimethylsilane is sourced from PubChem (CID 175418999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).