tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane

C12H26Si — CID 102273770

IUPACtert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane
SMILESCC[C@@H](C)/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26Si/c1-8-11(2)9-10-13(6,7)12(3,4)5/h9-11H,8H2,1-7H3/b10-9+/t11-/m1/s1
InChIKeyUNIVYTSMWDWEOM-PBQZMEPESA-N
MW198.43 g/mol
LogP4.64
Rot. Bonds3

About tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane

tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane (PubChem CID 102273770) has the molecular formula C12H26Si and a molecular weight of 198.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane
PubChem CID102273770
Molecular FormulaC12H26Si
Molecular Weight198.43 g/mol
Exact Mass198.18
IUPAC Nametert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane
SMILESCC[C@@H](C)/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26Si/c1-8-11(2)9-10-13(6,7)12(3,4)5/h9-11H,8H2,1-7H3/b10-9+/t11-/m1/s1
InChIKeyUNIVYTSMWDWEOM-PBQZMEPESA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane?
The IUPAC name of tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane (CID 102273770) is tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane is CC[C@@H](C)/C=C/[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane?
The InChIKey is UNIVYTSMWDWEOM-PBQZMEPESA-N. The full InChI is InChI=1S/C12H26Si/c1-8-11(2)9-10-13(6,7)12(3,4)5/h9-11H,8H2,1-7H3/b10-9+/t11-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane?
tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane has a molecular weight of 198.43 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,3R)-3-methylpent-1-enyl]silane is sourced from PubChem (CID 102273770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).