(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol

C15H34O3Si — CID 11437755

IUPAC(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol
SMILESCC[C@H](O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C15H34O3Si/c1-9-13(17)12(3)14(11(2)10-16)18-19(7,8)15(4,5)6/h11-14,16-17H,9-10H2,1-8H3/t11-,12+,13-,14-/m0/s1
InChIKeyZUPBINNKOUWCPX-CRWXNKLISA-N
MW290.52 g/mol
LogP3.41
Rot. Bonds7

About (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol

(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol (PubChem CID 11437755) has the molecular formula C15H34O3Si and a molecular weight of 290.52 g/mol. Its IUPAC name is (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol
PubChem CID11437755
Molecular FormulaC15H34O3Si
Molecular Weight290.52 g/mol
Exact Mass290.23
IUPAC Name(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol
SMILESCC[C@H](O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C15H34O3Si/c1-9-13(17)12(3)14(11(2)10-16)18-19(7,8)15(4,5)6/h11-14,16-17H,9-10H2,1-8H3/t11-,12+,13-,14-/m0/s1
InChIKeyZUPBINNKOUWCPX-CRWXNKLISA-N
XLogP3.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

rac-((1R,2S)-2-((tert-butyldimethylsilyl)oxy)cyclohexyl)methanol
CID 14172798
(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
7-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
CID 59012169
(1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol
CID 10944674
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol
CID 11403559
(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 11673678
(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol
CID 11750793
(2S,3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-2,3-diol
CID 21771973
(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol
CID 24776624
4-[Tert-butyl(dimethyl)silyl]peroxy-4-methylicosan-2-ol
CID 73036484
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
(2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol
CID 101399728

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol?
The IUPAC name of (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol (CID 11437755) is (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol.
What is the SMILES notation for (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol?
The canonical SMILES for (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol is CC[C@H](O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO.
What is the InChIKey of (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol?
The InChIKey is ZUPBINNKOUWCPX-CRWXNKLISA-N. The full InChI is InChI=1S/C15H34O3Si/c1-9-13(17)12(3)14(11(2)10-16)18-19(7,8)15(4,5)6/h11-14,16-17H,9-10H2,1-8H3/t11-,12+,13-,14-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol?
(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol has a molecular weight of 290.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol is sourced from PubChem (CID 11437755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).