(4-butoxyphenyl)-dichloro-hexylsilane

C16H26Cl2OSi — CID 139899604

IUPAC(4-butoxyphenyl)-dichloro-hexylsilane
SMILESCCCCCC[Si](Cl)(Cl)c1ccc(OCCCC)cc1
InChIInChI=1S/C16H26Cl2OSi/c1-3-5-7-8-14-20(17,18)16-11-9-15(10-12-16)19-13-6-4-2/h9-12H,3-8,13-14H2,1-2H3
InChIKeyMGKRMUPOLWSOGA-UHFFFAOYSA-N
MW333.38 g/mol
LogP5.57
Rot. Bonds10

About (4-butoxyphenyl)-dichloro-hexylsilane

(4-butoxyphenyl)-dichloro-hexylsilane (PubChem CID 139899604) has the molecular formula C16H26Cl2OSi and a molecular weight of 333.38 g/mol. Its IUPAC name is (4-butoxyphenyl)-dichloro-hexylsilane.

Molecular Properties

Compound Name(4-butoxyphenyl)-dichloro-hexylsilane
PubChem CID139899604
Molecular FormulaC16H26Cl2OSi
Molecular Weight333.38 g/mol
Exact Mass332.11
IUPAC Name(4-butoxyphenyl)-dichloro-hexylsilane
SMILESCCCCCC[Si](Cl)(Cl)c1ccc(OCCCC)cc1
InChIInChI=1S/C16H26Cl2OSi/c1-3-5-7-8-14-20(17,18)16-11-9-15(10-12-16)19-13-6-4-2/h9-12H,3-8,13-14H2,1-2H3
InChIKeyMGKRMUPOLWSOGA-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.38
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dichloro-(4-ethoxyphenyl)-hexylsilane
CID 139899605
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
bis(4-docosoxyphenyl)-dihydroxysilane
CID 69138050
(4-ethoxyphenyl)-heptyl-dimethylsilane
CID 67899813
dichloro-heptyl-phenylsilane
CID 101161411
1,4-dipentoxybenzene
CID 18314717
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-(chloromethyl)-4-octadecoxybenzene
CID 11463563
4-octadecoxyphenol
CID 22179059

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-dichloro-hexylsilane?
The IUPAC name of (4-butoxyphenyl)-dichloro-hexylsilane (CID 139899604) is (4-butoxyphenyl)-dichloro-hexylsilane.
What is the SMILES notation for (4-butoxyphenyl)-dichloro-hexylsilane?
The canonical SMILES for (4-butoxyphenyl)-dichloro-hexylsilane is CCCCCC[Si](Cl)(Cl)c1ccc(OCCCC)cc1.
What is the InChIKey of (4-butoxyphenyl)-dichloro-hexylsilane?
The InChIKey is MGKRMUPOLWSOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2OSi/c1-3-5-7-8-14-20(17,18)16-11-9-15(10-12-16)19-13-6-4-2/h9-12H,3-8,13-14H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-dichloro-hexylsilane?
(4-butoxyphenyl)-dichloro-hexylsilane has a molecular weight of 333.38 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-dichloro-hexylsilane is sourced from PubChem (CID 139899604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).