(5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane

C19H36Si — CID 10637425

IUPAC(5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C1=CCC=C(C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C19H36Si/c1-14(2)20(15(3)4,16(5)6)18-12-10-11-17(13-18)19(7,8)9/h11-12,14-16H,10,13H2,1-9H3
InChIKeyHJHSNMBRDMGXPY-UHFFFAOYSA-N
MW292.58 g/mol
LogP6.90
Rot. Bonds4

About (5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane

(5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane (PubChem CID 10637425) has the molecular formula C19H36Si and a molecular weight of 292.58 g/mol. Its IUPAC name is (5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane
PubChem CID10637425
Molecular FormulaC19H36Si
Molecular Weight292.58 g/mol
Exact Mass292.26
IUPAC Name(5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C1=CCC=C(C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C19H36Si/c1-14(2)20(15(3)4,16(5)6)18-12-10-11-17(13-18)19(7,8)9/h11-12,14-16H,10,13H2,1-9H3
InChIKeyHJHSNMBRDMGXPY-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.58
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of (5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane (CID 10637425) is (5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C1=CCC=C(C(C)(C)C)C1)(C(C)C)C(C)C.
What is the InChIKey of (5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane?
The InChIKey is HJHSNMBRDMGXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36Si/c1-14(2)20(15(3)4,16(5)6)18-12-10-11-17(13-18)19(7,8)9/h11-12,14-16H,10,13H2,1-9H3.
What are the key properties of (5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane?
(5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane has a molecular weight of 292.58 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylcyclohexa-1,4-dien-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 10637425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).