dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane

C41H85Cl5OSi2 — CID 159882945

IUPACdichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane
SMILESC.C.C=C1CCCCCCCCCCCCCCCC1[Si](Cl)(Cl)Cl.C=CCCCCCCCCCCCCCCCC[Si](Cl)(Cl)OC.CC
InChIInChI=1S/C19H38Cl2OSi.C18H33Cl3Si.C2H6.2CH4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2;1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(17)22(19,20)21;1-2;;/h3H,1,4-19H2,2H3;18H,1-16H2;1-2H3;2*1H4
InChIKeyNTTKXKVFIARSKG-UHFFFAOYSA-N
MW827.57 g/mol
LogP18.82
Rot. Bonds19

About dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane

dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane (PubChem CID 159882945) has the molecular formula C41H85Cl5OSi2 and a molecular weight of 827.57 g/mol. Its IUPAC name is dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane.

Molecular Properties

Compound Namedichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane
PubChem CID159882945
Molecular FormulaC41H85Cl5OSi2
Molecular Weight827.57 g/mol
Exact Mass824.46
IUPAC Namedichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane
SMILESC.C.C=C1CCCCCCCCCCCCCCCC1[Si](Cl)(Cl)Cl.C=CCCCCCCCCCCCCCCCC[Si](Cl)(Cl)OC.CC
InChIInChI=1S/C19H38Cl2OSi.C18H33Cl3Si.C2H6.2CH4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2;1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(17)22(19,20)21;1-2;;/h3H,1,4-19H2,2H3;18H,1-16H2;1-2H3;2*1H4
InChIKeyNTTKXKVFIARSKG-UHFFFAOYSA-N
XLogP18.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.57
LogP ≤ 518.82
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane?
The IUPAC name of dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane (CID 159882945) is dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane.
What is the SMILES notation for dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane?
The canonical SMILES for dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane is C.C.C=C1CCCCCCCCCCCCCCCC1[Si](Cl)(Cl)Cl.C=CCCCCCCCCCCCCCCCC[Si](Cl)(Cl)OC.CC.
What is the InChIKey of dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane?
The InChIKey is NTTKXKVFIARSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38Cl2OSi.C18H33Cl3Si.C2H6.2CH4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2;1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(17)22(19,20)21;1-2;;/h3H,1,4-19H2,2H3;18H,1-16H2;1-2H3;2*1H4.
What are the key properties of dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane?
dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane has a molecular weight of 827.57 g/mol, XLogP of 18.82, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methoxy-octadec-17-enylsilane;ethane;methane;trichloro-(2-methylidenecycloheptadecyl)silane is sourced from PubChem (CID 159882945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).