dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane

C16H30OSSi — CID 173010750

IUPACdimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane
SMILESC[SiH](C)C(C)(C)COCCCCCCc1ccsc1
InChIInChI=1S/C16H30OSSi/c1-16(2,19(3)4)14-17-11-8-6-5-7-9-15-10-12-18-13-15/h10,12-13,19H,5-9,11,14H2,1-4H3
InChIKeyGSTOVVOZCHKEEV-UHFFFAOYSA-N
MW298.57 g/mol
LogP5.13
Rot. Bonds10

About dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane

dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane (PubChem CID 173010750) has the molecular formula C16H30OSSi and a molecular weight of 298.57 g/mol. Its IUPAC name is dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane.

Molecular Properties

Compound Namedimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane
PubChem CID173010750
Molecular FormulaC16H30OSSi
Molecular Weight298.57 g/mol
Exact Mass298.18
IUPAC Namedimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane
SMILESC[SiH](C)C(C)(C)COCCCCCCc1ccsc1
InChIInChI=1S/C16H30OSSi/c1-16(2,19(3)4)14-17-11-8-6-5-7-9-15-10-12-18-13-15/h10,12-13,19H,5-9,11,14H2,1-4H3
InChIKeyGSTOVVOZCHKEEV-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.57
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane?
The IUPAC name of dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane (CID 173010750) is dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane.
What is the SMILES notation for dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane?
The canonical SMILES for dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane is C[SiH](C)C(C)(C)COCCCCCCc1ccsc1.
What is the InChIKey of dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane?
The InChIKey is GSTOVVOZCHKEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSSi/c1-16(2,19(3)4)14-17-11-8-6-5-7-9-15-10-12-18-13-15/h10,12-13,19H,5-9,11,14H2,1-4H3.
What are the key properties of dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane?
dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane has a molecular weight of 298.57 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-methyl-1-(6-thiophen-3-ylhexoxy)propan-2-yl]silane is sourced from PubChem (CID 173010750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).