cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane

C15H28OSi — CID 135023327

IUPACcyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCCC=C1)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-12(2)17(13(3)4,14(5)6)16-15-10-8-7-9-11-15/h8,10-14H,7,9H2,1-6H3
InChIKeyPGELTXKFONDODO-UHFFFAOYSA-N
MW252.47 g/mol
LogP5.41
Rot. Bonds5

About cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane

cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane (PubChem CID 135023327) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane
PubChem CID135023327
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Namecyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCCC=C1)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-12(2)17(13(3)4,14(5)6)16-15-10-8-7-9-11-15/h8,10-14H,7,9H2,1-6H3
InChIKeyPGELTXKFONDODO-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.41
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 cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane?
The IUPAC name of cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane (CID 135023327) is cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=CCCC=C1)(C(C)C)C(C)C.
What is the InChIKey of cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane?
The InChIKey is PGELTXKFONDODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-12(2)17(13(3)4,14(5)6)16-15-10-8-7-9-11-15/h8,10-14H,7,9H2,1-6H3.
What are the key properties of cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane?
cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane has a molecular weight of 252.47 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 135023327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).