tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane

C21H32Si — CID 11483790

IUPACtert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CCCCC#CCCC1CC1=C1CC1
InChIInChI=1S/C21H32Si/c1-21(2,3)22(4,5)16-12-10-8-6-7-9-11-13-19-17-20(19)18-14-15-18/h19H,6,8,10-11,13-15,17H2,1-5H3
InChIKeyQVSYREUUYSPHSU-UHFFFAOYSA-N
MW312.57 g/mol
LogP6.10
Rot. Bonds4

About tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane

tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane (PubChem CID 11483790) has the molecular formula C21H32Si and a molecular weight of 312.57 g/mol. Its IUPAC name is tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane
PubChem CID11483790
Molecular FormulaC21H32Si
Molecular Weight312.57 g/mol
Exact Mass312.23
IUPAC Nametert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CCCCC#CCCC1CC1=C1CC1
InChIInChI=1S/C21H32Si/c1-21(2,3)22(4,5)16-12-10-8-6-7-9-11-13-19-17-20(19)18-14-15-18/h19H,6,8,10-11,13-15,17H2,1-5H3
InChIKeyQVSYREUUYSPHSU-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.10
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Trimethylsilyl-2-cyclopropylcyclopropene
CID 14436146
5-(2-Cyclopropylidenecyclopropyl)pent-1-ynyl-trimethylsilane
CID 12142020
Qwvnhnbaypsfdb-uhfffaoysa-
CID 12567927
[(E)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11070688
9-(2-Cyclopropylidenecyclopropyl)nona-1,6-diynyl-trimethylsilane
CID 11196522
[(Z)-3,4-dicyclopropyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967828

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane (CID 11483790) is tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane is CC(C)(C)[Si](C)(C)C#CCCCC#CCCC1CC1=C1CC1.
What is the InChIKey of tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane?
The InChIKey is QVSYREUUYSPHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Si/c1-21(2,3)22(4,5)16-12-10-8-6-7-9-11-13-19-17-20(19)18-14-15-18/h19H,6,8,10-11,13-15,17H2,1-5H3.
What are the key properties of tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane?
tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane has a molecular weight of 312.57 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[9-(2-cyclopropylidenecyclopropyl)nona-1,6-diynyl]-dimethylsilane is sourced from PubChem (CID 11483790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).