(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol

C16H34O2Si — CID 53329570

IUPAC(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol
SMILESCCCC/C=C/[C@](C)(O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-9-10-11-12-13-16(6,17)14(2)18-19(7,8)15(3,4)5/h12-14,17H,9-11H2,1-8H3/b13-12+/t14-,16-/m0/s1
InChIKeyVVVSJNKQBPJXCT-JOFHTTMZSA-N
MW286.53 g/mol
LogP4.89
Rot. Bonds7

About (E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol

(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol (PubChem CID 53329570) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol.

Molecular Properties

Compound Name(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol
PubChem CID53329570
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol
SMILESCCCC/C=C/[C@](C)(O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-9-10-11-12-13-16(6,17)14(2)18-19(7,8)15(3,4)5/h12-14,17H,9-11H2,1-8H3/b13-12+/t14-,16-/m0/s1
InChIKeyVVVSJNKQBPJXCT-JOFHTTMZSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(Z,2R,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 10968145
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-3,6-dien-2-ol
CID 14494227
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176
(2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol
CID 23661055
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(E,2S,3S)-3,4,6-trimethyl-2-triethylsilyloxyhept-4-en-3-ol
CID 101800487
(E,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-3-methylpent-1-en-3-ol
CID 101800489
(E,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-3-methylpent-1-en-3-ol
CID 101800490
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol
CID 102174700

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol?
The IUPAC name of (E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol (CID 53329570) is (E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol.
What is the SMILES notation for (E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol?
The canonical SMILES for (E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol is CCCC/C=C/[C@](C)(O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol?
The InChIKey is VVVSJNKQBPJXCT-JOFHTTMZSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-9-10-11-12-13-16(6,17)14(2)18-19(7,8)15(3,4)5/h12-14,17H,9-11H2,1-8H3/b13-12+/t14-,16-/m0/s1.
What are the key properties of (E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol?
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol has a molecular weight of 286.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol is sourced from PubChem (CID 53329570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).