tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane

C18H32OSi — CID 164887901

IUPACtri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane
SMILESC=CCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C=CCC1
InChIInChI=1S/C18H32OSi/c1-8-11-17-12-9-10-13-18(17)19-20(14(2)3,15(4)5)16(6)7/h8,10,13-16H,1,9,11-12H2,2-7H3
InChIKeyZTOIZYRQIAWCRS-UHFFFAOYSA-N
MW292.54 g/mol
LogP6.36
Rot. Bonds7

About tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane

tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane (PubChem CID 164887901) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane.

Molecular Properties

Compound Nametri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane
PubChem CID164887901
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane
SMILESC=CCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C=CCC1
InChIInChI=1S/C18H32OSi/c1-8-11-17-12-9-10-13-18(17)19-20(14(2)3,15(4)5)16(6)7/h8,10,13-16H,1,9,11-12H2,2-7H3
InChIKeyZTOIZYRQIAWCRS-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane?
The IUPAC name of tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane (CID 164887901) is tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane.
What is the SMILES notation for tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane?
The canonical SMILES for tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane is C=CCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C=CCC1.
What is the InChIKey of tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane?
The InChIKey is ZTOIZYRQIAWCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-8-11-17-12-9-10-13-18(17)19-20(14(2)3,15(4)5)16(6)7/h8,10,13-16H,1,9,11-12H2,2-7H3.
What are the key properties of tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane?
tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane has a molecular weight of 292.54 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-(2-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane is sourced from PubChem (CID 164887901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).