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

C15H30O4Si2 — CID 140798680

IUPACtrimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane
SMILESCO[Si](C[Si](C)(OC)C1=CC=C(C(C)C)CC1)(OC)OC
InChIInChI=1S/C15H30O4Si2/c1-13(2)14-8-10-15(11-9-14)20(7,16-3)12-21(17-4,18-5)19-6/h8,10,13H,9,11-12H2,1-7H3
InChIKeyMIPRBDPONJHMIS-UHFFFAOYSA-N
MW330.57 g/mol
LogP3.47
Rot. Bonds8

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

trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane (PubChem CID 140798680) has the molecular formula C15H30O4Si2 and a molecular weight of 330.57 g/mol. Its IUPAC name is trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane.

Molecular Properties

Compound Nametrimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane
PubChem CID140798680
Molecular FormulaC15H30O4Si2
Molecular Weight330.57 g/mol
Exact Mass330.17
IUPAC Nametrimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane
SMILESCO[Si](C[Si](C)(OC)C1=CC=C(C(C)C)CC1)(OC)OC
InChIInChI=1S/C15H30O4Si2/c1-13(2)14-8-10-15(11-9-14)20(7,16-3)12-21(17-4,18-5)19-6/h8,10,13H,9,11-12H2,1-7H3
InChIKeyMIPRBDPONJHMIS-UHFFFAOYSA-N
XLogP3.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 53.47
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 trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane?
The IUPAC name of trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane (CID 140798680) is trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane.
What is the SMILES notation for trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane?
The canonical SMILES for trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane is CO[Si](C[Si](C)(OC)C1=CC=C(C(C)C)CC1)(OC)OC.
What is the InChIKey of trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane?
The InChIKey is MIPRBDPONJHMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si2/c1-13(2)14-8-10-15(11-9-14)20(7,16-3)12-21(17-4,18-5)19-6/h8,10,13H,9,11-12H2,1-7H3.
What are the key properties of trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane?
trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane has a molecular weight of 330.57 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane is sourced from PubChem (CID 140798680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).