(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol

C17H34O4Si — CID 46197055

IUPAC(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
SMILESC=C[C@H](OCOC)[C@H](CC/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-15(20-14-19-5)16(12-10-9-11-13-18)21-22(6,7)17(2,3)4/h8-9,11,15-16,18H,1,10,12-14H2,2-7H3/b11-9+/t15-,16-/m0/s1
InChIKeyJEQYAUOEFNBJLE-HLZWWYGYSA-N
MW330.54 g/mol
LogP3.88
Rot. Bonds11

About (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol

(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol (PubChem CID 46197055) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol.

Molecular Properties

Compound Name(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
PubChem CID46197055
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
SMILESC=C[C@H](OCOC)[C@H](CC/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-15(20-14-19-5)16(12-10-9-11-13-18)21-22(6,7)17(2,3)4/h8-9,11,15-16,18H,1,10,12-14H2,2-7H3/b11-9+/t15-,16-/m0/s1
InChIKeyJEQYAUOEFNBJLE-HLZWWYGYSA-N
XLogP3.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-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

tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
(2R,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(methoxymethoxy)hexanal
CID 11611502
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol
CID 10515260
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol
CID 90951994
[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 56946984
[(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 132582442
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-yn-1-ol
CID 91868233
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodohept-6-en-1-ol
CID 102090845
(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol
CID 101252863

Frequently Asked Questions

What is the IUPAC name of (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol?
The IUPAC name of (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol (CID 46197055) is (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol.
What is the SMILES notation for (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol?
The canonical SMILES for (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol is C=C[C@H](OCOC)[C@H](CC/C=C/CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol?
The InChIKey is JEQYAUOEFNBJLE-HLZWWYGYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-8-15(20-14-19-5)16(12-10-9-11-13-18)21-22(6,7)17(2,3)4/h8-9,11,15-16,18H,1,10,12-14H2,2-7H3/b11-9+/t15-,16-/m0/s1.
What are the key properties of (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol?
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol has a molecular weight of 330.54 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol is sourced from PubChem (CID 46197055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).