dichloro-(4-ethoxyphenyl)-hexylsilane

C14H22Cl2OSi — CID 139899605

IUPACdichloro-(4-ethoxyphenyl)-hexylsilane
SMILESCCCCCC[Si](Cl)(Cl)c1ccc(OCC)cc1
InChIInChI=1S/C14H22Cl2OSi/c1-3-5-6-7-12-18(15,16)14-10-8-13(9-11-14)17-4-2/h8-11H,3-7,12H2,1-2H3
InChIKeyQSVAQNKOTQFARX-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.79
Rot. Bonds8

About dichloro-(4-ethoxyphenyl)-hexylsilane

dichloro-(4-ethoxyphenyl)-hexylsilane (PubChem CID 139899605) has the molecular formula C14H22Cl2OSi and a molecular weight of 305.32 g/mol. Its IUPAC name is dichloro-(4-ethoxyphenyl)-hexylsilane.

Molecular Properties

Compound Namedichloro-(4-ethoxyphenyl)-hexylsilane
PubChem CID139899605
Molecular FormulaC14H22Cl2OSi
Molecular Weight305.32 g/mol
Exact Mass304.08
IUPAC Namedichloro-(4-ethoxyphenyl)-hexylsilane
SMILESCCCCCC[Si](Cl)(Cl)c1ccc(OCC)cc1
InChIInChI=1S/C14H22Cl2OSi/c1-3-5-6-7-12-18(15,16)14-10-8-13(9-11-14)17-4-2/h8-11H,3-7,12H2,1-2H3
InChIKeyQSVAQNKOTQFARX-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.79
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

(4-butoxyphenyl)-dichloro-hexylsilane
CID 139899604
(4-ethoxyphenyl)-heptyl-dimethylsilane
CID 67899813
dichloro-heptyl-phenylsilane
CID 101161411
bis(4-docosoxyphenyl)-dihydroxysilane
CID 69138050
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-(6-chlorohexoxy)-4-ethoxybenzene
CID 63498933
(4-ethoxyphenyl)-dimethyl-silylsilane
CID 123596716
1,4-dipentoxybenzene
CID 18314717
N-decyl-4-ethoxybenzamide
CID 4123784
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane
CID 139625184

Frequently Asked Questions

What is the IUPAC name of dichloro-(4-ethoxyphenyl)-hexylsilane?
The IUPAC name of dichloro-(4-ethoxyphenyl)-hexylsilane (CID 139899605) is dichloro-(4-ethoxyphenyl)-hexylsilane.
What is the SMILES notation for dichloro-(4-ethoxyphenyl)-hexylsilane?
The canonical SMILES for dichloro-(4-ethoxyphenyl)-hexylsilane is CCCCCC[Si](Cl)(Cl)c1ccc(OCC)cc1.
What is the InChIKey of dichloro-(4-ethoxyphenyl)-hexylsilane?
The InChIKey is QSVAQNKOTQFARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2OSi/c1-3-5-6-7-12-18(15,16)14-10-8-13(9-11-14)17-4-2/h8-11H,3-7,12H2,1-2H3.
What are the key properties of dichloro-(4-ethoxyphenyl)-hexylsilane?
dichloro-(4-ethoxyphenyl)-hexylsilane has a molecular weight of 305.32 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(4-ethoxyphenyl)-hexylsilane is sourced from PubChem (CID 139899605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).