(E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol

C18H36O5Si — CID 10666257

IUPAC(E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol
SMILESC/C(=C\C[C@H](C[C@H]1COC(C)(C)O1)OCOCC[Si](C)(C)C)CO
InChIInChI=1S/C18H36O5Si/c1-15(12-19)7-8-16(11-17-13-22-18(2,3)23-17)21-14-20-9-10-24(4,5)6/h7,16-17,19H,8-14H2,1-6H3/b15-7+/t16-,17+/m1/s1
InChIKeyORHKVLDESCQFOQ-KUCHOIMBSA-N
MW360.57 g/mol
LogP3.55
Rot. Bonds11

About (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol

(E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol (PubChem CID 10666257) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol.

Molecular Properties

Compound Name(E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol
PubChem CID10666257
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name(E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol
SMILESC/C(=C\C[C@H](C[C@H]1COC(C)(C)O1)OCOCC[Si](C)(C)C)CO
InChIInChI=1S/C18H36O5Si/c1-15(12-19)7-8-16(11-17-13-22-18(2,3)23-17)21-14-20-9-10-24(4,5)6/h7,16-17,19H,8-14H2,1-6H3/b15-7+/t16-,17+/m1/s1
InChIKeyORHKVLDESCQFOQ-KUCHOIMBSA-N
XLogP3.55
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol
CID 5471932
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol (2)
CID 24864792
(2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol
CID 25105534
(4s,5s,6r,2z)-6,7-Bis[(t-butyldimethyl-silyl)oxy]-4,5-(isopropylidenedioxy)hept-2-en-1-ol
CID 56600291
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319
8-[Tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol
CID 135042829
(E,5R,7R,8R)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3-tributylstannyl-7-(2-trimethylsilylethoxymethoxy)non-2-en-1-ol
CID 139249825
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol
CID 139252220
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol
CID 145927273
2-(tert-Butyl-dimethyl-silanyloxy)-dodeca-4,10-dien-6-ol
CID 145927284
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-11-methyl-dodeca-4,10-dien-6-ol
CID 145927286
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanol
CID 10426794

Frequently Asked Questions

What is the IUPAC name of (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol?
The IUPAC name of (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol (CID 10666257) is (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol.
What is the SMILES notation for (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol?
The canonical SMILES for (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol is C/C(=C\C[C@H](C[C@H]1COC(C)(C)O1)OCOCC[Si](C)(C)C)CO.
What is the InChIKey of (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol?
The InChIKey is ORHKVLDESCQFOQ-KUCHOIMBSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-15(12-19)7-8-16(11-17-13-22-18(2,3)23-17)21-14-20-9-10-24(4,5)6/h7,16-17,19H,8-14H2,1-6H3/b15-7+/t16-,17+/m1/s1.
What are the key properties of (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol?
(E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol has a molecular weight of 360.57 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-en-1-ol is sourced from PubChem (CID 10666257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).