1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol

C16H37NO5Si — CID 59264326

IUPAC1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol
SMILESCCCC(C)CC(C)NCC(O)COCCC[Si](O)(OC)OC
InChIInChI=1S/C16H37NO5Si/c1-6-8-14(2)11-15(3)17-12-16(18)13-22-9-7-10-23(19,20-4)21-5/h14-19H,6-13H2,1-5H3
InChIKeyAXJMWZLLLBNSJO-UHFFFAOYSA-N
MW351.56 g/mol
LogP1.78
Rot. Bonds15

About 1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol

1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol (PubChem CID 59264326) has the molecular formula C16H37NO5Si and a molecular weight of 351.56 g/mol. Its IUPAC name is 1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol
PubChem CID59264326
Molecular FormulaC16H37NO5Si
Molecular Weight351.56 g/mol
Exact Mass351.24
IUPAC Name1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol
SMILESCCCC(C)CC(C)NCC(O)COCCC[Si](O)(OC)OC
InChIInChI=1S/C16H37NO5Si/c1-6-8-14(2)11-15(3)17-12-16(18)13-22-9-7-10-23(19,20-4)21-5/h14-19H,6-13H2,1-5H3
InChIKeyAXJMWZLLLBNSJO-UHFFFAOYSA-N
XLogP1.78
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.56
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-(4-methylpentan-2-ylamino)-3-octoxypropan-2-ol
CID 60899891
1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
CID 64603424
3-[(3-hexoxy-2-hydroxypropyl)amino]butan-1-ol
CID 83176581
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199472
hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane
CID 90441305
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412169
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
1-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659
1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61222081

Frequently Asked Questions

What is the IUPAC name of 1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol (CID 59264326) is 1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol is CCCC(C)CC(C)NCC(O)COCCC[Si](O)(OC)OC.
What is the InChIKey of 1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol?
The InChIKey is AXJMWZLLLBNSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO5Si/c1-6-8-14(2)11-15(3)17-12-16(18)13-22-9-7-10-23(19,20-4)21-5/h14-19H,6-13H2,1-5H3.
What are the key properties of 1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol?
1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol has a molecular weight of 351.56 g/mol, XLogP of 1.78, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol is sourced from PubChem (CID 59264326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).