(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol

C13H28O4Si — CID 135040108

IUPAC(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol
SMILESC=CC[C@H](O)[C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-7-8-10(14)12(16)11(15)9-17-18(5,6)13(2,3)4/h7,10-12,14-16H,1,8-9H2,2-6H3/t10-,11-,12-/m0/s1
InChIKeyPHPUEDHIJXEACS-SRVKXCTJSA-N
MW276.45 g/mol
LogP1.67
Rot. Bonds7

About (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol

(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol (PubChem CID 135040108) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol
PubChem CID135040108
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol
SMILESC=CC[C@H](O)[C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-7-8-10(14)12(16)11(15)9-17-18(5,6)13(2,3)4/h7,10-12,14-16H,1,8-9H2,2-6H3/t10-,11-,12-/m0/s1
InChIKeyPHPUEDHIJXEACS-SRVKXCTJSA-N
XLogP1.67
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5-tetrahydrooxepin-3-ol
CID 10825136
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
Ctk2E3476
CID 11246239
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
CID 11470271
6-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 13857471
(4S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 13857472
(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 13857473

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol?
The IUPAC name of (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol (CID 135040108) is (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol.
What is the SMILES notation for (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol?
The canonical SMILES for (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol is C=CC[C@H](O)[C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol?
The InChIKey is PHPUEDHIJXEACS-SRVKXCTJSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-7-8-10(14)12(16)11(15)9-17-18(5,6)13(2,3)4/h7,10-12,14-16H,1,8-9H2,2-6H3/t10-,11-,12-/m0/s1.
What are the key properties of (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol?
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol has a molecular weight of 276.45 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-ene-2,3,4-triol is sourced from PubChem (CID 135040108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).