CID 164787457

C9H20NO2Si — CID 164787457

IUPAC—
SMILESCC(C)NCC(O)COCCC[Si]
InChIInChI=1S/C9H20NO2Si/c1-8(2)10-6-9(11)7-12-4-3-5-13/h8-11H,3-7H2,1-2H3
InChIKeyDWMLHCZVQAWNPP-UHFFFAOYSA-N
MW202.35 g/mol
LogP0.34
Rot. Bonds8

About CID 164787457

CID 164787457 (PubChem CID 164787457) has the molecular formula C9H20NO2Si and a molecular weight of 202.35 g/mol.

Molecular Properties

Compound NameCID 164787457
PubChem CID164787457
Molecular FormulaC9H20NO2Si
Molecular Weight202.35 g/mol
Exact Mass202.13
IUPAC Name—
SMILESCC(C)NCC(O)COCCC[Si]
InChIInChI=1S/C9H20NO2Si/c1-8(2)10-6-9(11)7-12-4-3-5-13/h8-11H,3-7H2,1-2H3
InChIKeyDWMLHCZVQAWNPP-UHFFFAOYSA-N
XLogP0.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(2,3-dihexadecoxypropoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 23466152
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
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1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14223890
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
1-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]propanenitrile;oxalic acid
CID 110181615
(2R)-1-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 98184971
1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
CID 107262975
1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol
CID 89205374
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639

Frequently Asked Questions

What is the IUPAC name of CID 164787457?
The IUPAC name of CID 164787457 (CID 164787457) is not available.
What is the SMILES notation for CID 164787457?
The canonical SMILES for CID 164787457 is CC(C)NCC(O)COCCC[Si].
What is the InChIKey of CID 164787457?
The InChIKey is DWMLHCZVQAWNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2Si/c1-8(2)10-6-9(11)7-12-4-3-5-13/h8-11H,3-7H2,1-2H3.
What are the key properties of CID 164787457?
CID 164787457 has a molecular weight of 202.35 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164787457 is sourced from PubChem (CID 164787457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).