[(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol

C66H130N2O6Si2 — CID 163873922

IUPAC[(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C.[C-]#[N+]c1ccc(O[C@H](COCCCCCCCCCCCCCCCCCC)CO[Si](C(C)C)(C(C)C)C(C)C)cn1
InChIInChI=1S/C36H66N2O3Si.C30H64O3Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-39-29-35(41-34-25-26-36(37-8)38-28-34)30-40-42(31(2)3,32(4)5)33(6)7;1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-25-30(31)26-33-34(27(2)3,28(4)5)29(6)7/h25-26,28,31-33,35H,9-24,27,29-30H2,1-7H3;27-31H,8-26H2,1-7H3/t35-;30-/m11/s1
InChIKeyPNFIIBVBQRVUOS-VQEPZKCVSA-N
MW1103.95 g/mol
LogP21.67
Rot. Bonds52

About [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol

[(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol (PubChem CID 163873922) has the molecular formula C66H130N2O6Si2 and a molecular weight of 1103.95 g/mol. Its IUPAC name is [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol.

Molecular Properties

Compound Name[(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol
PubChem CID163873922
Molecular FormulaC66H130N2O6Si2
Molecular Weight1103.95 g/mol
Exact Mass1102.95
IUPAC Name[(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C.[C-]#[N+]c1ccc(O[C@H](COCCCCCCCCCCCCCCCCCC)CO[Si](C(C)C)(C(C)C)C(C)C)cn1
InChIInChI=1S/C36H66N2O3Si.C30H64O3Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-39-29-35(41-34-25-26-36(37-8)38-28-34)30-40-42(31(2)3,32(4)5)33(6)7;1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-25-30(31)26-33-34(27(2)3,28(4)5)29(6)7/h25-26,28,31-33,35H,9-24,27,29-30H2,1-7H3;27-31H,8-26H2,1-7H3/t35-;30-/m11/s1
InChIKeyPNFIIBVBQRVUOS-VQEPZKCVSA-N
XLogP21.67
TPSA83.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds52
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.95
LogP ≤ 521.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-yl]oxypyridazine-3-carbonitrile
CID 163259896
4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol
CID 10960272
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
5-(2-hydroxy-3-tridecoxypropoxy)-2-methylphenol
CID 59445639
1-(1,3-dioctoxypropan-2-yloxy)-3-octoxypropan-2-ol
CID 87462950
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-fluoro-3-tridecoxypropan-2-ol
CID 139708468
1-fluoro-3-nonoxypropan-2-ol
CID 139708466
1-octadecoxy-3-pyridin-2-yloxypropan-2-ol
CID 71323407
(2S)-2-(4-isocyano-3-methoxy-5-methylphenoxy)-3-octadecoxypropan-1-ol;(2R)-1-octadecoxy-3-trityloxypropan-2-ol
CID 164953739
bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite
CID 54054497

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol?
The IUPAC name of [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol (CID 163873922) is [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol.
What is the SMILES notation for [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol?
The canonical SMILES for [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol is CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C.[C-]#[N+]c1ccc(O[C@H](COCCCCCCCCCCCCCCCCCC)CO[Si](C(C)C)(C(C)C)C(C)C)cn1.
What is the InChIKey of [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol?
The InChIKey is PNFIIBVBQRVUOS-VQEPZKCVSA-N. The full InChI is InChI=1S/C36H66N2O3Si.C30H64O3Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-39-29-35(41-34-25-26-36(37-8)38-28-34)30-40-42(31(2)3,32(4)5)33(6)7;1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-25-30(31)26-33-34(27(2)3,28(4)5)29(6)7/h25-26,28,31-33,35H,9-24,27,29-30H2,1-7H3;27-31H,8-26H2,1-7H3/t35-;30-/m11/s1.
What are the key properties of [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol?
[(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol has a molecular weight of 1103.95 g/mol, XLogP of 21.67, 52 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(6-isocyano-3-pyridinyl)oxy]-3-octadecoxypropoxy]-tri(propan-2-yl)silane;(2R)-1-octadecoxy-3-tri(propan-2-yl)silyloxypropan-2-ol is sourced from PubChem (CID 163873922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).