2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane

C29H44OSSi — CID 22155504

IUPAC2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane
SMILESCC(C)C(C)(C)[Si](C)(C)OCCc1ccc(CCCC2(c3ccccc3)CCSC2)cc1
InChIInChI=1S/C29H44OSSi/c1-24(2)28(3,4)32(5,6)30-21-18-26-16-14-25(15-17-26)11-10-19-29(20-22-31-23-29)27-12-8-7-9-13-27/h7-9,12-17,24H,10-11,18-23H2,1-6H3
InChIKeyFKKCNMNJZMAJEN-UHFFFAOYSA-N
MW468.82 g/mol
LogP8.28
Rot. Bonds11

About 2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane

2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane (PubChem CID 22155504) has the molecular formula C29H44OSSi and a molecular weight of 468.82 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane
PubChem CID22155504
Molecular FormulaC29H44OSSi
Molecular Weight468.82 g/mol
Exact Mass468.29
IUPAC Name2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane
SMILESCC(C)C(C)(C)[Si](C)(C)OCCc1ccc(CCCC2(c3ccccc3)CCSC2)cc1
InChIInChI=1S/C29H44OSSi/c1-24(2)28(3,4)32(5,6)30-21-18-26-16-14-25(15-17-26)11-10-19-29(20-22-31-23-29)27-12-8-7-9-13-27/h7-9,12-17,24H,10-11,18-23H2,1-6H3
InChIKeyFKKCNMNJZMAJEN-UHFFFAOYSA-N
XLogP8.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.82
LogP ≤ 58.28
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 2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane?
The IUPAC name of 2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane (CID 22155504) is 2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane?
The canonical SMILES for 2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane is CC(C)C(C)(C)[Si](C)(C)OCCc1ccc(CCCC2(c3ccccc3)CCSC2)cc1.
What is the InChIKey of 2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane?
The InChIKey is FKKCNMNJZMAJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44OSSi/c1-24(2)28(3,4)32(5,6)30-21-18-26-16-14-25(15-17-26)11-10-19-29(20-22-31-23-29)27-12-8-7-9-13-27/h7-9,12-17,24H,10-11,18-23H2,1-6H3.
What are the key properties of 2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane?
2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane has a molecular weight of 468.82 g/mol, XLogP of 8.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl-dimethyl-[2-[4-[3-(3-phenylthiolan-3-yl)propyl]phenyl]ethoxy]silane is sourced from PubChem (CID 22155504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).