1-adamantyl-dimethyl-oct-1-enylsilane

C20H36Si — CID 139918451

IUPAC1-adamantyl-dimethyl-oct-1-enylsilane
SMILESCCCCCCC=C[Si](C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H36Si/c1-4-5-6-7-8-9-10-21(2,3)20-14-17-11-18(15-20)13-19(12-17)16-20/h9-10,17-19H,4-8,11-16H2,1-3H3
InChIKeyCBMYLYRIIPSMDR-UHFFFAOYSA-N
MW304.59 g/mol
LogP6.73
Rot. Bonds7

About 1-adamantyl-dimethyl-oct-1-enylsilane

1-adamantyl-dimethyl-oct-1-enylsilane (PubChem CID 139918451) has the molecular formula C20H36Si and a molecular weight of 304.59 g/mol. Its IUPAC name is 1-adamantyl-dimethyl-oct-1-enylsilane.

Molecular Properties

Compound Name1-adamantyl-dimethyl-oct-1-enylsilane
PubChem CID139918451
Molecular FormulaC20H36Si
Molecular Weight304.59 g/mol
Exact Mass304.26
IUPAC Name1-adamantyl-dimethyl-oct-1-enylsilane
SMILESCCCCCCC=C[Si](C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H36Si/c1-4-5-6-7-8-9-10-21(2,3)20-14-17-11-18(15-20)13-19(12-17)16-20/h9-10,17-19H,4-8,11-16H2,1-3H3
InChIKeyCBMYLYRIIPSMDR-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.59
LogP ≤ 56.73
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-dimethyl-oct-1-enylsilane?
The IUPAC name of 1-adamantyl-dimethyl-oct-1-enylsilane (CID 139918451) is 1-adamantyl-dimethyl-oct-1-enylsilane.
What is the SMILES notation for 1-adamantyl-dimethyl-oct-1-enylsilane?
The canonical SMILES for 1-adamantyl-dimethyl-oct-1-enylsilane is CCCCCCC=C[Si](C)(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-dimethyl-oct-1-enylsilane?
The InChIKey is CBMYLYRIIPSMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36Si/c1-4-5-6-7-8-9-10-21(2,3)20-14-17-11-18(15-20)13-19(12-17)16-20/h9-10,17-19H,4-8,11-16H2,1-3H3.
What are the key properties of 1-adamantyl-dimethyl-oct-1-enylsilane?
1-adamantyl-dimethyl-oct-1-enylsilane has a molecular weight of 304.59 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-dimethyl-oct-1-enylsilane is sourced from PubChem (CID 139918451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).