(E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol

C18H38O4Si — CID 10043267

IUPAC(E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/[C@@H](O)CC(O)CO
InChIInChI=1S/C18H38O4Si/c1-13(2)17(22-23(7,8)18(4,5)6)14(3)9-10-15(20)11-16(21)12-19/h9-10,13-17,19-21H,11-12H2,1-8H3/b10-9+/t14-,15-,16?,17-/m1/s1
InChIKeyLTWNSRCSDRNQQI-YGZLYHSGSA-N
MW346.58 g/mol
LogP3.33
Rot. Bonds9

About (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol

(E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol (PubChem CID 10043267) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol.

Molecular Properties

Compound Name(E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol
PubChem CID10043267
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name(E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/[C@@H](O)CC(O)CO
InChIInChI=1S/C18H38O4Si/c1-13(2)17(22-23(7,8)18(4,5)6)14(3)9-10-15(20)11-16(21)12-19/h9-10,13-17,19-21H,11-12H2,1-8H3/b10-9+/t14-,15-,16?,17-/m1/s1
InChIKeyLTWNSRCSDRNQQI-YGZLYHSGSA-N
XLogP3.33
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 53.33
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'}

Analyze (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol with MolForge

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Launch Full Analysis

Related Compounds

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(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
(1S,2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 11301047
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176

Frequently Asked Questions

What is the IUPAC name of (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol?
The IUPAC name of (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol (CID 10043267) is (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol.
What is the SMILES notation for (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol?
The canonical SMILES for (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol is CC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/[C@@H](O)CC(O)CO.
What is the InChIKey of (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol?
The InChIKey is LTWNSRCSDRNQQI-YGZLYHSGSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-13(2)17(22-23(7,8)18(4,5)6)14(3)9-10-15(20)11-16(21)12-19/h9-10,13-17,19-21H,11-12H2,1-8H3/b10-9+/t14-,15-,16?,17-/m1/s1.
What are the key properties of (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol?
(E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol has a molecular weight of 346.58 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol is sourced from PubChem (CID 10043267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).