4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide

C14H31NO6Si — CID 160531535

IUPAC4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide
SMILESCCO[Si](CCCC(N)=O)(OCC)OC(C)(CCO)CCO
InChIInChI=1S/C14H31NO6Si/c1-4-19-22(20-5-2,12-6-7-13(15)18)21-14(3,8-10-16)9-11-17/h16-17H,4-12H2,1-3H3,(H2,15,18)
InChIKeyQVPJWCJZCBFDAO-UHFFFAOYSA-N
MW337.49 g/mol
LogP0.80
Rot. Bonds14

About 4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide

4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide (PubChem CID 160531535) has the molecular formula C14H31NO6Si and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide.

Molecular Properties

Compound Name4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide
PubChem CID160531535
Molecular FormulaC14H31NO6Si
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Name4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide
SMILESCCO[Si](CCCC(N)=O)(OCC)OC(C)(CCO)CCO
InChIInChI=1S/C14H31NO6Si/c1-4-19-22(20-5-2,12-6-7-13(15)18)21-14(3,8-10-16)9-11-17/h16-17H,4-12H2,1-3H3,(H2,15,18)
InChIKeyQVPJWCJZCBFDAO-UHFFFAOYSA-N
XLogP0.80
TPSA111.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate
CID 172786041
4-[(4-amino-3,3-dimethylbutyl)-diethoxysilyl]oxy-4-methylheptane-1,7-diol
CID 87195185
3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine
CID 157496346
(2-methyl-5-triethoxysilylpentan-2-yl)urea
CID 87282445
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate
CID 86039074
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide
CID 175314964
37-triethoxysilylheptatriacontan-1-ol
CID 87684596
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
2-aminoacetaldehyde;3-[diethoxy-[(2-methylpropan-2-yl)oxy]silyl]propan-1-amine
CID 87438219
silane;3-triethoxysilylpropylurea
CID 161180470

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide?
The IUPAC name of 4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide (CID 160531535) is 4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide.
What is the SMILES notation for 4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide?
The canonical SMILES for 4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide is CCO[Si](CCCC(N)=O)(OCC)OC(C)(CCO)CCO.
What is the InChIKey of 4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide?
The InChIKey is QVPJWCJZCBFDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO6Si/c1-4-19-22(20-5-2,12-6-7-13(15)18)21-14(3,8-10-16)9-11-17/h16-17H,4-12H2,1-3H3,(H2,15,18).
What are the key properties of 4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide?
4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide has a molecular weight of 337.49 g/mol, XLogP of 0.80, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide is sourced from PubChem (CID 160531535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).