[6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane

C32H62O4Si2 — CID 58760845

IUPAC[6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane
SMILESCO[Si](C)(CCCC(C)(C)CC(C)(C)c1ccc(C(C)(C)CC(C)(C)CCC[Si](C)(OC)OC)cc1)OC
InChIInChI=1S/C32H62O4Si2/c1-29(2,21-15-23-37(13,33-9)34-10)25-31(5,6)27-17-19-28(20-18-27)32(7,8)26-30(3,4)22-16-24-38(14,35-11)36-12/h17-20H,15-16,21-26H2,1-14H3
InChIKeyYZNYNQOFYQNJHO-UHFFFAOYSA-N
MW567.02 g/mol
LogP9.36
Rot. Bonds18

About [6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane

[6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane (PubChem CID 58760845) has the molecular formula C32H62O4Si2 and a molecular weight of 567.02 g/mol. Its IUPAC name is [6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane.

Molecular Properties

Compound Name[6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane
PubChem CID58760845
Molecular FormulaC32H62O4Si2
Molecular Weight567.02 g/mol
Exact Mass566.42
IUPAC Name[6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane
SMILESCO[Si](C)(CCCC(C)(C)CC(C)(C)c1ccc(C(C)(C)CC(C)(C)CCC[Si](C)(OC)OC)cc1)OC
InChIInChI=1S/C32H62O4Si2/c1-29(2,21-15-23-37(13,33-9)34-10)25-31(5,6)27-17-19-28(20-18-27)32(7,8)26-30(3,4)22-16-24-38(14,35-11)36-12/h17-20H,15-16,21-26H2,1-14H3
InChIKeyYZNYNQOFYQNJHO-UHFFFAOYSA-N
XLogP9.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.02
LogP ≤ 59.36
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 [6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane?
The IUPAC name of [6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane (CID 58760845) is [6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane.
What is the SMILES notation for [6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane?
The canonical SMILES for [6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane is CO[Si](C)(CCCC(C)(C)CC(C)(C)c1ccc(C(C)(C)CC(C)(C)CCC[Si](C)(OC)OC)cc1)OC.
What is the InChIKey of [6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane?
The InChIKey is YZNYNQOFYQNJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O4Si2/c1-29(2,21-15-23-37(13,33-9)34-10)25-31(5,6)27-17-19-28(20-18-27)32(7,8)26-30(3,4)22-16-24-38(14,35-11)36-12/h17-20H,15-16,21-26H2,1-14H3.
What are the key properties of [6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane?
[6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane has a molecular weight of 567.02 g/mol, XLogP of 9.36, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane is sourced from PubChem (CID 58760845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).