tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane

C30H64Si3 — CID 139119560

IUPACtritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane
SMILESCCC1=C(CC)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C[Si@@H]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C30H64Si3/c1-20-23-24(21-2)32(25(3,4)5,26(6,7)8)30(18,19)22-31(23)33(27(9,10)11,28(12,13)14)29(15,16)17/h31H,20-22H2,1-19H3/t31-/m0/s1
InChIKeyNYELQSKVAOEGTF-HKBQPEDESA-N
MW509.10 g/mol
LogP11.18
Rot. Bonds3

About tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane

tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane (PubChem CID 139119560) has the molecular formula C30H64Si3 and a molecular weight of 509.10 g/mol. Its IUPAC name is tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane.

Molecular Properties

Compound Nametritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane
PubChem CID139119560
Molecular FormulaC30H64Si3
Molecular Weight509.10 g/mol
Exact Mass508.43
IUPAC Nametritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane
SMILESCCC1=C(CC)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C[Si@@H]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C30H64Si3/c1-20-23-24(21-2)32(25(3,4)5,26(6,7)8)30(18,19)22-31(23)33(27(9,10)11,28(12,13)14)29(15,16)17/h31H,20-22H2,1-19H3/t31-/m0/s1
InChIKeyNYELQSKVAOEGTF-HKBQPEDESA-N
XLogP11.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.10
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane?
The IUPAC name of tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane (CID 139119560) is tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane.
What is the SMILES notation for tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane?
The canonical SMILES for tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane is CCC1=C(CC)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C[Si@@H]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane?
The InChIKey is NYELQSKVAOEGTF-HKBQPEDESA-N. The full InChI is InChI=1S/C30H64Si3/c1-20-23-24(21-2)32(25(3,4)5,26(6,7)8)30(18,19)22-31(23)33(27(9,10)11,28(12,13)14)29(15,16)17/h31H,20-22H2,1-19H3/t31-/m0/s1.
What are the key properties of tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane?
tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane has a molecular weight of 509.10 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl-[(1S)-4,4-ditert-butyl-5,6-diethyl-3,3-dimethyl-1,2-dihydro-1,4-disilin-1-yl]silane is sourced from PubChem (CID 139119560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).