dichloro(diphenyl)silane;octadecan-1-amine

C30H49Cl2NSi — CID 157092949

IUPACdichloro(diphenyl)silane;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.Cl[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H39N.C12H10Cl2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-19H2,1H3;1-10H
InChIKeyAEWLRRUKYYDQSD-UHFFFAOYSA-N
MW522.72 g/mol
LogP8.93
Rot. Bonds18

About dichloro(diphenyl)silane;octadecan-1-amine

dichloro(diphenyl)silane;octadecan-1-amine (PubChem CID 157092949) has the molecular formula C30H49Cl2NSi and a molecular weight of 522.72 g/mol. Its IUPAC name is dichloro(diphenyl)silane;octadecan-1-amine.

Molecular Properties

Compound Namedichloro(diphenyl)silane;octadecan-1-amine
PubChem CID157092949
Molecular FormulaC30H49Cl2NSi
Molecular Weight522.72 g/mol
Exact Mass521.30
IUPAC Namedichloro(diphenyl)silane;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.Cl[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H39N.C12H10Cl2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-19H2,1H3;1-10H
InChIKeyAEWLRRUKYYDQSD-UHFFFAOYSA-N
XLogP8.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.72
LogP ≤ 58.93
H-Bond Donors ≤ 51
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

butyl(trichloro)silane;dichloro(diphenyl)silane
CID 67532832
benzene;octadecan-1-amine
CID 175562752
hexadecan-1-amine;phenol
CID 175347138
dichloro-heptyl-phenylsilane
CID 101161411
benzene-1,2-diamine;decan-1-amine
CID 174921659
octan-1-amine;N-phenylaniline
CID 68728866
chloro-methyl-octyl-phenylsilane
CID 66989770
chloro-hexyl-iodo-phenylsilane
CID 154486835
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481

Frequently Asked Questions

What is the IUPAC name of dichloro(diphenyl)silane;octadecan-1-amine?
The IUPAC name of dichloro(diphenyl)silane;octadecan-1-amine (CID 157092949) is dichloro(diphenyl)silane;octadecan-1-amine.
What is the SMILES notation for dichloro(diphenyl)silane;octadecan-1-amine?
The canonical SMILES for dichloro(diphenyl)silane;octadecan-1-amine is CCCCCCCCCCCCCCCCCCN.Cl[Si](Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of dichloro(diphenyl)silane;octadecan-1-amine?
The InChIKey is AEWLRRUKYYDQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C12H10Cl2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-19H2,1H3;1-10H.
What are the key properties of dichloro(diphenyl)silane;octadecan-1-amine?
dichloro(diphenyl)silane;octadecan-1-amine has a molecular weight of 522.72 g/mol, XLogP of 8.93, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(diphenyl)silane;octadecan-1-amine is sourced from PubChem (CID 157092949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).