tert-butyl-dimethyl-octa-2,7-diynoxysilane

C14H24OSi — CID 44543485

IUPACtert-butyl-dimethyl-octa-2,7-diynoxysilane
SMILESC#CCCCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h1H,8-10,13H2,2-6H3
InChIKeyRIVCULSKTVLGJQ-UHFFFAOYSA-N
MW236.43 g/mol
LogP3.82
Rot. Bonds4

About tert-butyl-dimethyl-octa-2,7-diynoxysilane

tert-butyl-dimethyl-octa-2,7-diynoxysilane (PubChem CID 44543485) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-octa-2,7-diynoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-octa-2,7-diynoxysilane
PubChem CID44543485
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Nametert-butyl-dimethyl-octa-2,7-diynoxysilane
SMILESC#CCCCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h1H,8-10,13H2,2-6H3
InChIKeyRIVCULSKTVLGJQ-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-octa-2,7-diynoxysilane?
The IUPAC name of tert-butyl-dimethyl-octa-2,7-diynoxysilane (CID 44543485) is tert-butyl-dimethyl-octa-2,7-diynoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-octa-2,7-diynoxysilane?
The canonical SMILES for tert-butyl-dimethyl-octa-2,7-diynoxysilane is C#CCCCC#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-octa-2,7-diynoxysilane?
The InChIKey is RIVCULSKTVLGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h1H,8-10,13H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-octa-2,7-diynoxysilane?
tert-butyl-dimethyl-octa-2,7-diynoxysilane has a molecular weight of 236.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-octa-2,7-diynoxysilane is sourced from PubChem (CID 44543485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).