(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol

C16H34O3Si — CID 44604556

IUPAC(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
SMILESCCC[C@H](O)[C@H](C)[C@@H](O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-8-10-14(17)13(2)15(18)11-9-12-19-20(6,7)16(3,4)5/h9,11,13-15,17-18H,8,10,12H2,1-7H3/b11-9+/t13-,14-,15-/m0/s1
InChIKeyFVQVQYSKXNSXJN-SNSYNLEUSA-N
MW302.53 g/mol
LogP3.72
Rot. Bonds8

About (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol

(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol (PubChem CID 44604556) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol.

Molecular Properties

Compound Name(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
PubChem CID44604556
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
SMILESCCC[C@H](O)[C@H](C)[C@@H](O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-8-10-14(17)13(2)15(18)11-9-12-19-20(6,7)16(3,4)5/h9,11,13-15,17-18H,8,10,12H2,1-7H3/b11-9+/t13-,14-,15-/m0/s1
InChIKeyFVQVQYSKXNSXJN-SNSYNLEUSA-N
XLogP3.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol 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

(1R,3R,4Z,6S,8S,10Z,13Z)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol
CID 101340301
(1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol
CID 163028462
lobophylin H
CID 163107310
(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
CID 11292059
(1E,3R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-1-iodo-2,6-dimethyldeca-1,5,9-trien-3-ol
CID 134953226
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
CID 11021568
(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
CID 11196999
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806

Frequently Asked Questions

What is the IUPAC name of (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol?
The IUPAC name of (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol (CID 44604556) is (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol.
What is the SMILES notation for (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol?
The canonical SMILES for (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol is CCC[C@H](O)[C@H](C)[C@@H](O)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol?
The InChIKey is FVQVQYSKXNSXJN-SNSYNLEUSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-8-10-14(17)13(2)15(18)11-9-12-19-20(6,7)16(3,4)5/h9,11,13-15,17-18H,8,10,12H2,1-7H3/b11-9+/t13-,14-,15-/m0/s1.
What are the key properties of (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol?
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol has a molecular weight of 302.53 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol is sourced from PubChem (CID 44604556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).