CID 153437996

C18H31NO4Si2 — CID 153437996

IUPAC—
SMILESCOC(OC)[Si]CCCN(CCC[Si]C(OC)OC)c1ccccc1
InChIInChI=1S/C18H31NO4Si2/c1-20-17(21-2)24-14-8-12-19(16-10-6-5-7-11-16)13-9-15-25-18(22-3)23-4/h5-7,10-11,17-18H,8-9,12-15H2,1-4H3
InChIKeyHQCLSSAWIXJPOL-UHFFFAOYSA-N
MW381.62 g/mol
LogP2.67
Rot. Bonds15

About CID 153437996

CID 153437996 (PubChem CID 153437996) has the molecular formula C18H31NO4Si2 and a molecular weight of 381.62 g/mol.

Molecular Properties

Compound NameCID 153437996
PubChem CID153437996
Molecular FormulaC18H31NO4Si2
Molecular Weight381.62 g/mol
Exact Mass381.18
IUPAC Name—
SMILESCOC(OC)[Si]CCCN(CCC[Si]C(OC)OC)c1ccccc1
InChIInChI=1S/C18H31NO4Si2/c1-20-17(21-2)24-14-8-12-19(16-10-6-5-7-11-16)13-9-15-25-18(22-3)23-4/h5-7,10-11,17-18H,8-9,12-15H2,1-4H3
InChIKeyHQCLSSAWIXJPOL-UHFFFAOYSA-N
XLogP2.67
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.62
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 154378615
N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
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2-[N-(4-methoxybutyl)anilino]ethanol
CID 111544024
N-(4-azidobutyl)-N-(4-trimethoxysilylbutyl)aniline
CID 57208848
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
N,N-dipropylaniline;ethane
CID 142135231
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
3-(N-propylanilino)propan-1-ol
CID 101291000
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042

Frequently Asked Questions

What is the IUPAC name of CID 153437996?
The IUPAC name of CID 153437996 (CID 153437996) is not available.
What is the SMILES notation for CID 153437996?
The canonical SMILES for CID 153437996 is COC(OC)[Si]CCCN(CCC[Si]C(OC)OC)c1ccccc1.
What is the InChIKey of CID 153437996?
The InChIKey is HQCLSSAWIXJPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4Si2/c1-20-17(21-2)24-14-8-12-19(16-10-6-5-7-11-16)13-9-15-25-18(22-3)23-4/h5-7,10-11,17-18H,8-9,12-15H2,1-4H3.
What are the key properties of CID 153437996?
CID 153437996 has a molecular weight of 381.62 g/mol, XLogP of 2.67, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153437996 is sourced from PubChem (CID 153437996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).