(2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane

C20H38OSi — CID 102453125

IUPAC(2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
SMILESCCCC1C=C(C)C(O[Si](C(C)C)(C(C)C)C(C)C)=C(C)C1
InChIInChI=1S/C20H38OSi/c1-10-11-19-12-17(8)20(18(9)13-19)21-22(14(2)3,15(4)5)16(6)7/h12,14-16,19H,10-11,13H2,1-9H3
InChIKeyZSYRLAPIGIWOTH-UHFFFAOYSA-N
MW322.61 g/mol
LogP7.22
Rot. Bonds7

About (2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane

(2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane (PubChem CID 102453125) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is (2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
PubChem CID102453125
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name(2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
SMILESCCCC1C=C(C)C(O[Si](C(C)C)(C(C)C)C(C)C)=C(C)C1
InChIInChI=1S/C20H38OSi/c1-10-11-19-12-17(8)20(18(9)13-19)21-22(14(2)3,15(4)5)16(6)7/h12,14-16,19H,10-11,13H2,1-9H3
InChIKeyZSYRLAPIGIWOTH-UHFFFAOYSA-N
XLogP7.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 57.22
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 (2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane (CID 102453125) is (2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane is CCCC1C=C(C)C(O[Si](C(C)C)(C(C)C)C(C)C)=C(C)C1.
What is the InChIKey of (2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is ZSYRLAPIGIWOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38OSi/c1-10-11-19-12-17(8)20(18(9)13-19)21-22(14(2)3,15(4)5)16(6)7/h12,14-16,19H,10-11,13H2,1-9H3.
What are the key properties of (2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
(2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 322.61 g/mol, XLogP of 7.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102453125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).