hexan-2-yloxy-octoxy-diphenylsilane

C26H40O2Si — CID 91742037

IUPAChexan-2-yloxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OC(C)CCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-4-6-8-9-10-17-23-27-29(25-19-13-11-14-20-25,26-21-15-12-16-22-26)28-24(3)18-7-5-2/h11-16,19-22,24H,4-10,17-18,23H2,1-3H3
InChIKeyMWAKELHSCMKVOM-UHFFFAOYSA-N
MW412.69 g/mol
LogP6.22
Rot. Bonds15

About hexan-2-yloxy-octoxy-diphenylsilane

hexan-2-yloxy-octoxy-diphenylsilane (PubChem CID 91742037) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is hexan-2-yloxy-octoxy-diphenylsilane.

Molecular Properties

Compound Namehexan-2-yloxy-octoxy-diphenylsilane
PubChem CID91742037
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Namehexan-2-yloxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OC(C)CCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-4-6-8-9-10-17-23-27-29(25-19-13-11-14-20-25,26-21-15-12-16-22-26)28-24(3)18-7-5-2/h11-16,19-22,24H,4-10,17-18,23H2,1-3H3
InChIKeyMWAKELHSCMKVOM-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 56.22
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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Related Compounds

heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
octoxy-pent-4-en-2-yloxy-diphenylsilane
CID 91742014
hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
heptadecoxy-hexan-3-yloxy-diphenylsilane
CID 91745287
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110
hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
CID 91732710
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
2-methylpentan-3-yloxy-pentoxy-diphenylsilane
CID 91740058
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793

Frequently Asked Questions

What is the IUPAC name of hexan-2-yloxy-octoxy-diphenylsilane?
The IUPAC name of hexan-2-yloxy-octoxy-diphenylsilane (CID 91742037) is hexan-2-yloxy-octoxy-diphenylsilane.
What is the SMILES notation for hexan-2-yloxy-octoxy-diphenylsilane?
The canonical SMILES for hexan-2-yloxy-octoxy-diphenylsilane is CCCCCCCCO[Si](OC(C)CCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexan-2-yloxy-octoxy-diphenylsilane?
The InChIKey is MWAKELHSCMKVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-4-6-8-9-10-17-23-27-29(25-19-13-11-14-20-25,26-21-15-12-16-22-26)28-24(3)18-7-5-2/h11-16,19-22,24H,4-10,17-18,23H2,1-3H3.
What are the key properties of hexan-2-yloxy-octoxy-diphenylsilane?
hexan-2-yloxy-octoxy-diphenylsilane has a molecular weight of 412.69 g/mol, XLogP of 6.22, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yloxy-octoxy-diphenylsilane is sourced from PubChem (CID 91742037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).