(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol

C16H34O3Si — CID 45141916

IUPAC(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol
SMILESCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C(\C)CO)OC
InChIInChI=1S/C16H34O3Si/c1-9-10-14(15(18-6)11-13(2)12-17)19-20(7,8)16(3,4)5/h11,14-15,17H,9-10,12H2,1-8H3/b13-11+/t14-,15-/m0/s1
InChIKeyIIQVZFNPOHGOOW-CYAURGIBSA-N
MW302.53 g/mol
LogP4.13
Rot. Bonds8

About (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol

(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol (PubChem CID 45141916) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol.

Molecular Properties

Compound Name(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol
PubChem CID45141916
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol
SMILESCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C(\C)CO)OC
InChIInChI=1S/C16H34O3Si/c1-9-10-14(15(18-6)11-13(2)12-17)19-20(7,8)16(3,4)5/h11,14-15,17H,9-10,12H2,1-8H3/b13-11+/t14-,15-/m0/s1
InChIKeyIIQVZFNPOHGOOW-CYAURGIBSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
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)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol 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

(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(E)-3-[(2R,3R,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]prop-2-en-1-ol
CID 11034764
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol
CID 25191434
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
CID 46197055
(2E,4E,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-methylundeca-2,4,10-trien-1-ol
CID 46197056
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
CID 102050109
(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
CID 123540959
(3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol
CID 134857299
(2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,10-trien-4-ol
CID 135082484
(4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol
CID 10891402

Frequently Asked Questions

What is the IUPAC name of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol?
The IUPAC name of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol (CID 45141916) is (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol.
What is the SMILES notation for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol?
The canonical SMILES for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol is CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C(\C)CO)OC.
What is the InChIKey of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol?
The InChIKey is IIQVZFNPOHGOOW-CYAURGIBSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-9-10-14(15(18-6)11-13(2)12-17)19-20(7,8)16(3,4)5/h11,14-15,17H,9-10,12H2,1-8H3/b13-11+/t14-,15-/m0/s1.
What are the key properties of (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol?
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol has a molecular weight of 302.53 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloct-2-en-1-ol is sourced from PubChem (CID 45141916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).