triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane

C19H38O4Si2 — CID 140798663

IUPACtriethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane
SMILESCCO[Si](C[Si](C)(OCC)C1=CC=C(C(C)C)CC1)(OCC)OCC
InChIInChI=1S/C19H38O4Si2/c1-8-20-24(7,19-14-12-18(13-15-19)17(5)6)16-25(21-9-2,22-10-3)23-11-4/h12,14,17H,8-11,13,15-16H2,1-7H3
InChIKeyGNFJSNCMAYIWRP-UHFFFAOYSA-N
MW386.68 g/mol
LogP5.03
Rot. Bonds12

About triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane

triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane (PubChem CID 140798663) has the molecular formula C19H38O4Si2 and a molecular weight of 386.68 g/mol. Its IUPAC name is triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane.

Molecular Properties

Compound Nametriethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane
PubChem CID140798663
Molecular FormulaC19H38O4Si2
Molecular Weight386.68 g/mol
Exact Mass386.23
IUPAC Nametriethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane
SMILESCCO[Si](C[Si](C)(OCC)C1=CC=C(C(C)C)CC1)(OCC)OCC
InChIInChI=1S/C19H38O4Si2/c1-8-20-24(7,19-14-12-18(13-15-19)17(5)6)16-25(21-9-2,22-10-3)23-11-4/h12,14,17H,8-11,13,15-16H2,1-7H3
InChIKeyGNFJSNCMAYIWRP-UHFFFAOYSA-N
XLogP5.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane?
The IUPAC name of triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane (CID 140798663) is triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane.
What is the SMILES notation for triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane?
The canonical SMILES for triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane is CCO[Si](C[Si](C)(OCC)C1=CC=C(C(C)C)CC1)(OCC)OCC.
What is the InChIKey of triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane?
The InChIKey is GNFJSNCMAYIWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4Si2/c1-8-20-24(7,19-14-12-18(13-15-19)17(5)6)16-25(21-9-2,22-10-3)23-11-4/h12,14,17H,8-11,13,15-16H2,1-7H3.
What are the key properties of triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane?
triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane has a molecular weight of 386.68 g/mol, XLogP of 5.03, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane is sourced from PubChem (CID 140798663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).