(2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol

C14H34O3Si2 — CID 173463913

IUPAC(2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol
SMILESCCCCC[C@H]([C@H](C)O)C(C)(C)C(O[SiH2]C)O[SiH2]C
InChIInChI=1S/C14H34O3Si2/c1-7-8-9-10-12(11(2)15)14(3,4)13(16-18-5)17-19-6/h11-13,15H,7-10,18-19H2,1-6H3/t11-,12+/m0/s1
InChIKeyAIQJCIJHFDPTJI-NWDGAFQWSA-N
MW306.60 g/mol
LogP2.21
Rot. Bonds11

About (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol

(2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol (PubChem CID 173463913) has the molecular formula C14H34O3Si2 and a molecular weight of 306.60 g/mol. Its IUPAC name is (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol
PubChem CID173463913
Molecular FormulaC14H34O3Si2
Molecular Weight306.60 g/mol
Exact Mass306.20
IUPAC Name(2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol
SMILESCCCCC[C@H]([C@H](C)O)C(C)(C)C(O[SiH2]C)O[SiH2]C
InChIInChI=1S/C14H34O3Si2/c1-7-8-9-10-12(11(2)15)14(3,4)13(16-18-5)17-19-6/h11-13,15H,7-10,18-19H2,1-6H3/t11-,12+/m0/s1
InChIKeyAIQJCIJHFDPTJI-NWDGAFQWSA-N
XLogP2.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.60
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-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

3-(2-aminopropan-2-yl)nonan-2-ol
CID 87504447
3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride
CID 175072736
3-(dimethylamino)decan-2-ol
CID 87744632
(2R)-heptan-2-ol
CID 6992611
dimagnesium;3,4-dibutyl-4-heptyldodecan-2-ol;hydride
CID 174374090
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
octane-2,3-diol;hydrochloride
CID 175007054
(2R,3S)-dodecane-2,3-diol
CID 163394646
3-(2-hydroxytetradecan-3-yloxy)tetradecan-2-ol
CID 141007473
octadecane-8,11-diol
CID 101412726
heptane;heptan-2-ol
CID 157400640
heptan-2-ol;hydroxylamine
CID 88625997

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol?
The IUPAC name of (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol (CID 173463913) is (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol.
What is the SMILES notation for (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol?
The canonical SMILES for (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol is CCCCC[C@H]([C@H](C)O)C(C)(C)C(O[SiH2]C)O[SiH2]C.
What is the InChIKey of (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol?
The InChIKey is AIQJCIJHFDPTJI-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H34O3Si2/c1-7-8-9-10-12(11(2)15)14(3,4)13(16-18-5)17-19-6/h11-13,15H,7-10,18-19H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol?
(2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol has a molecular weight of 306.60 g/mol, XLogP of 2.21, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]octan-2-ol is sourced from PubChem (CID 173463913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).