bis(1-adamantyl)-methyl-oct-2-enylsilane

C29H48Si — CID 139918452

IUPACbis(1-adamantyl)-methyl-oct-2-enylsilane
SMILESCCCCCC=CC[Si](C)(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C29H48Si/c1-3-4-5-6-7-8-9-30(2,28-16-22-10-23(17-28)12-24(11-22)18-28)29-19-25-13-26(20-29)15-27(14-25)21-29/h7-8,22-27H,3-6,9-21H2,1-2H3
InChIKeyQLZSDKWAZXDHFP-UHFFFAOYSA-N
MW424.79 g/mol
LogP9.14
Rot. Bonds8

About bis(1-adamantyl)-methyl-oct-2-enylsilane

bis(1-adamantyl)-methyl-oct-2-enylsilane (PubChem CID 139918452) has the molecular formula C29H48Si and a molecular weight of 424.79 g/mol. Its IUPAC name is bis(1-adamantyl)-methyl-oct-2-enylsilane.

Molecular Properties

Compound Namebis(1-adamantyl)-methyl-oct-2-enylsilane
PubChem CID139918452
Molecular FormulaC29H48Si
Molecular Weight424.79 g/mol
Exact Mass424.35
IUPAC Namebis(1-adamantyl)-methyl-oct-2-enylsilane
SMILESCCCCCC=CC[Si](C)(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C29H48Si/c1-3-4-5-6-7-8-9-30(2,28-16-22-10-23(17-28)12-24(11-22)18-28)29-19-25-13-26(20-29)15-27(14-25)21-29/h7-8,22-27H,3-6,9-21H2,1-2H3
InChIKeyQLZSDKWAZXDHFP-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.79
LogP ≤ 59.14
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'}

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Related Compounds

1-adamantyl-hex-1-enyl-dimethylsilane
CID 139918453
dec-2-enyl-methyl-nonyl-octylsilane
CID 173411847
methyl-[(E)-oct-2-enyl]-dioctylsilane
CID 173411896
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710

Frequently Asked Questions

What is the IUPAC name of bis(1-adamantyl)-methyl-oct-2-enylsilane?
The IUPAC name of bis(1-adamantyl)-methyl-oct-2-enylsilane (CID 139918452) is bis(1-adamantyl)-methyl-oct-2-enylsilane.
What is the SMILES notation for bis(1-adamantyl)-methyl-oct-2-enylsilane?
The canonical SMILES for bis(1-adamantyl)-methyl-oct-2-enylsilane is CCCCCC=CC[Si](C)(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of bis(1-adamantyl)-methyl-oct-2-enylsilane?
The InChIKey is QLZSDKWAZXDHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48Si/c1-3-4-5-6-7-8-9-30(2,28-16-22-10-23(17-28)12-24(11-22)18-28)29-19-25-13-26(20-29)15-27(14-25)21-29/h7-8,22-27H,3-6,9-21H2,1-2H3.
What are the key properties of bis(1-adamantyl)-methyl-oct-2-enylsilane?
bis(1-adamantyl)-methyl-oct-2-enylsilane has a molecular weight of 424.79 g/mol, XLogP of 9.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantyl)-methyl-oct-2-enylsilane is sourced from PubChem (CID 139918452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).