2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol

C18H38O2Si — CID 134901058

IUPAC2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
SMILESCCCCCCCC[C@@H]1O[C@]1(C(O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H38O2Si/c1-8-9-10-11-12-13-14-15-18(20-15,21(5,6)7)16(19)17(2,3)4/h15-16,19H,8-14H2,1-7H3/t15-,16?,18-/m0/s1
InChIKeyNSGHJVUOMZNUKZ-SPQDMEGHSA-N
MW314.59 g/mol
LogP5.16
Rot. Bonds9

About 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol

2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol (PubChem CID 134901058) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
PubChem CID134901058
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
SMILESCCCCCCCC[C@@H]1O[C@]1(C(O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H38O2Si/c1-8-9-10-11-12-13-14-15-18(20-15,21(5,6)7)16(19)17(2,3)4/h15-16,19H,8-14H2,1-7H3/t15-,16?,18-/m0/s1
InChIKeyNSGHJVUOMZNUKZ-SPQDMEGHSA-N
XLogP5.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-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

[(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol
CID 11652161
1-(2-Trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol
CID 14433639
1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
CID 134900999
2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
CID 134901008
1-[(2R,3R)-3-tert-butyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
CID 134901078
1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
CID 134901126
1-[(2R,3R)-3-decyloxiran-2-yl]-2,2-dimethylpropan-1-ol
CID 134997668
2-Oxiranemethanol, alpha,alpha.-dimethyl-3-[1-(t-butyldimethylsilyloxy)pentyl]-
CID 554788
1-[3-[1-[Tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol
CID 10071268
3-[Tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol
CID 54196736
3-[2-(Hydroxymethyl)-2-(16-methylheptadecoxymethyl)-3-(oxiran-2-ylmethoxy)propoxy]propane-1,2-diol
CID 88324836
1-Hexadecoxy-5-[hydroxy(dimethyl)silyl]-5-methylhexan-2-ol
CID 88561920

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol (CID 134901058) is 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol is CCCCCCCC[C@@H]1O[C@]1(C(O)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol?
The InChIKey is NSGHJVUOMZNUKZ-SPQDMEGHSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-8-9-10-11-12-13-14-15-18(20-15,21(5,6)7)16(19)17(2,3)4/h15-16,19H,8-14H2,1-7H3/t15-,16?,18-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol?
2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol has a molecular weight of 314.59 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol is sourced from PubChem (CID 134901058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).