(3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane

C56H84Si — CID 123692672

IUPAC(3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane
SMILESC=CCCCCC1CC([Si](c2ccccc2)(c2ccccc2)C2C3CC4C(CC3C3CC5C(CC32)C(C)(C)CCC5(C)C)C(C)(C)CCC4(C)C)C2CCCCC12
InChIInChI=1S/C56H84Si/c1-10-11-12-15-22-38-33-51(42-28-21-20-27-41(38)42)57(39-23-16-13-17-24-39,40-25-18-14-19-26-40)52-45-36-49-47(53(2,3)29-31-55(49,6)7)34-43(45)44-35-48-50(37-46(44)52)56(8,9)32-30-54(48,4)5/h10,13-14,16-19,23-26,38,41-52H,1,11-12,15,20-22,27-37H2,2-9H3
InChIKeyGSQAKYZVFIIVGI-UHFFFAOYSA-N
MW785.37 g/mol
LogP14.79
Rot. Bonds9

About (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane

(3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane (PubChem CID 123692672) has the molecular formula C56H84Si and a molecular weight of 785.37 g/mol. Its IUPAC name is (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane.

Molecular Properties

Compound Name(3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane
PubChem CID123692672
Molecular FormulaC56H84Si
Molecular Weight785.37 g/mol
Exact Mass784.63
IUPAC Name(3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane
SMILESC=CCCCCC1CC([Si](c2ccccc2)(c2ccccc2)C2C3CC4C(CC3C3CC5C(CC32)C(C)(C)CCC5(C)C)C(C)(C)CCC4(C)C)C2CCCCC12
InChIInChI=1S/C56H84Si/c1-10-11-12-15-22-38-33-51(42-28-21-20-27-41(38)42)57(39-23-16-13-17-24-39,40-25-18-14-19-26-40)52-45-36-49-47(53(2,3)29-31-55(49,6)7)34-43(45)44-35-48-50(37-46(44)52)56(8,9)32-30-54(48,4)5/h10,13-14,16-19,23-26,38,41-52H,1,11-12,15,20-22,27-37H2,2-9H3
InChIKeyGSQAKYZVFIIVGI-UHFFFAOYSA-N
XLogP14.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.37
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane?
The IUPAC name of (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane (CID 123692672) is (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane.
What is the SMILES notation for (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane?
The canonical SMILES for (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane is C=CCCCCC1CC([Si](c2ccccc2)(c2ccccc2)C2C3CC4C(CC3C3CC5C(CC32)C(C)(C)CCC5(C)C)C(C)(C)CCC4(C)C)C2CCCCC12.
What is the InChIKey of (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane?
The InChIKey is GSQAKYZVFIIVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H84Si/c1-10-11-12-15-22-38-33-51(42-28-21-20-27-41(38)42)57(39-23-16-13-17-24-39,40-25-18-14-19-26-40)52-45-36-49-47(53(2,3)29-31-55(49,6)7)34-43(45)44-35-48-50(37-46(44)52)56(8,9)32-30-54(48,4)5/h10,13-14,16-19,23-26,38,41-52H,1,11-12,15,20-22,27-37H2,2-9H3.
What are the key properties of (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane?
(3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane has a molecular weight of 785.37 g/mol, XLogP of 14.79, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hex-5-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosanyl)-diphenylsilane is sourced from PubChem (CID 123692672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).