tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane

C19H36OSi — CID 11438269

IUPACtri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane
SMILESCC1=CCC(C)(C)CC=C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-14(2)21(15(3)4,16(5)6)20-18-11-13-19(8,9)12-10-17(18)7/h10-11,14-16H,12-13H2,1-9H3
InChIKeyRTRYPRRQGJTORE-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.83
Rot. Bonds5

About tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane

tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane (PubChem CID 11438269) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane.

Molecular Properties

Compound Nametri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane
PubChem CID11438269
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane
SMILESCC1=CCC(C)(C)CC=C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-14(2)21(15(3)4,16(5)6)20-18-11-13-19(8,9)12-10-17(18)7/h10-11,14-16H,12-13H2,1-9H3
InChIKeyRTRYPRRQGJTORE-UHFFFAOYSA-N
XLogP6.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane?
The IUPAC name of tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane (CID 11438269) is tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane.
What is the SMILES notation for tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane?
The canonical SMILES for tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane is CC1=CCC(C)(C)CC=C1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane?
The InChIKey is RTRYPRRQGJTORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-14(2)21(15(3)4,16(5)6)20-18-11-13-19(8,9)12-10-17(18)7/h10-11,14-16H,12-13H2,1-9H3.
What are the key properties of tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane?
tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane has a molecular weight of 308.58 g/mol, XLogP of 6.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane is sourced from PubChem (CID 11438269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).