2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane

C20H36Si — CID 101466434

IUPAC2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC1(C)[C@@H]2CCCCC[C@@H]21)(C(C)C)C(C)C
InChIInChI=1S/C20H36Si/c1-15(2)21(16(3)4,17(5)6)14-13-20(7)18-11-9-8-10-12-19(18)20/h15-19H,8-12H2,1-7H3/t18-,19+,20?
InChIKeyCIKYALOBBSVOPF-YOFSQIOKSA-N
MW304.59 g/mol
LogP6.42
Rot. Bonds3

About 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane

2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 101466434) has the molecular formula C20H36Si and a molecular weight of 304.59 g/mol. Its IUPAC name is 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane
PubChem CID101466434
Molecular FormulaC20H36Si
Molecular Weight304.59 g/mol
Exact Mass304.26
IUPAC Name2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC1(C)[C@@H]2CCCCC[C@@H]21)(C(C)C)C(C)C
InChIInChI=1S/C20H36Si/c1-15(2)21(16(3)4,17(5)6)14-13-20(7)18-11-9-8-10-12-19(18)20/h15-19H,8-12H2,1-7H3/t18-,19+,20?
InChIKeyCIKYALOBBSVOPF-YOFSQIOKSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.59
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane with MolForge

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Related Compounds

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2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
CID 101237056
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cyclooctyl-dimethyl-propan-2-ylsilane
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cyclononyl-diethyl-propan-2-ylsilane
CID 70177803
2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
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1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
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1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane
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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane (CID 101466434) is 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CC1(C)[C@@H]2CCCCC[C@@H]21)(C(C)C)C(C)C.
What is the InChIKey of 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is CIKYALOBBSVOPF-YOFSQIOKSA-N. The full InChI is InChI=1S/C20H36Si/c1-15(2)21(16(3)4,17(5)6)14-13-20(7)18-11-9-8-10-12-19(18)20/h15-19H,8-12H2,1-7H3/t18-,19+,20?.
What are the key properties of 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane?
2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 304.59 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,7R)-8-methyl-8-bicyclo[5.1.0]octanyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 101466434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).