(1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane

C14H26O2Si — CID 139842955

IUPAC(1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane
SMILESCCOC1([Si](C)(C)OCC(C)C)C=CC=CC1
InChIInChI=1S/C14H26O2Si/c1-6-15-14(10-8-7-9-11-14)17(4,5)16-12-13(2)3/h7-10,13H,6,11-12H2,1-5H3
InChIKeySQUFWQLVVKBWCJ-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.69
Rot. Bonds6

About (1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane

(1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane (PubChem CID 139842955) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane.

Molecular Properties

Compound Name(1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane
PubChem CID139842955
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane
SMILESCCOC1([Si](C)(C)OCC(C)C)C=CC=CC1
InChIInChI=1S/C14H26O2Si/c1-6-15-14(10-8-7-9-11-14)17(4,5)16-12-13(2)3/h7-10,13H,6,11-12H2,1-5H3
InChIKeySQUFWQLVVKBWCJ-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane?
The IUPAC name of (1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane (CID 139842955) is (1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane.
What is the SMILES notation for (1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane?
The canonical SMILES for (1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane is CCOC1([Si](C)(C)OCC(C)C)C=CC=CC1.
What is the InChIKey of (1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane?
The InChIKey is SQUFWQLVVKBWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-6-15-14(10-8-7-9-11-14)17(4,5)16-12-13(2)3/h7-10,13H,6,11-12H2,1-5H3.
What are the key properties of (1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane?
(1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane has a molecular weight of 254.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexa-2,4-dien-1-yl)-dimethyl-(2-methylpropoxy)silane is sourced from PubChem (CID 139842955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).