(2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol

C16H32O4Si — CID 10686922

IUPAC(2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol
SMILESC/C=C/[C@H](OCOC)[C@H](O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-8-10-15(19-13-18-5)14(17)11-9-12-20-21(6,7)16(2,3)4/h8-11,14-15,17H,12-13H2,1-7H3/b10-8+,11-9+/t14-,15+/m1/s1
InChIKeyYCNUQRAHGHIUGM-CTLYFNBGSA-N
MW316.51 g/mol
LogP3.49
Rot. Bonds9

About (2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol

(2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol (PubChem CID 10686922) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol.

Molecular Properties

Compound Name(2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol
PubChem CID10686922
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol
SMILESC/C=C/[C@H](OCOC)[C@H](O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-8-10-15(19-13-18-5)14(17)11-9-12-20-21(6,7)16(2,3)4/h8-11,14-15,17H,12-13H2,1-7H3/b10-8+,11-9+/t14-,15+/m1/s1
InChIKeyYCNUQRAHGHIUGM-CTLYFNBGSA-N
XLogP3.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.49
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'}

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Related Compounds

(4R,5S,E)-5-((tert-Butyldimethylsilyl)oxy)-4-((2-methoxyethoxy)methoxy)hex-2-enoic acid
CID 11002564
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol (2)
CID 24864792
(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
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 101259942
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-ol
CID 134836901
(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol
CID 134842571
(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol
CID 134863284
(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
(4R,5E,7S)-7-(methoxymethoxy)-7-methyl-8-tri(propan-2-yl)silyloxyocta-1,5-dien-4-ol
CID 134939182
(2Z,5R,6E,8R)-5-hydroxy-8-(methoxymethoxy)-8-methyl-9-tri(propan-2-yl)silyloxynona-2,6-dienenitrile
CID 134947469

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol?
The IUPAC name of (2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol (CID 10686922) is (2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol.
What is the SMILES notation for (2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol?
The canonical SMILES for (2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol is C/C=C/[C@H](OCOC)[C@H](O)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol?
The InChIKey is YCNUQRAHGHIUGM-CTLYFNBGSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-8-10-15(19-13-18-5)14(17)11-9-12-20-21(6,7)16(2,3)4/h8-11,14-15,17H,12-13H2,1-7H3/b10-8+,11-9+/t14-,15+/m1/s1.
What are the key properties of (2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol?
(2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol has a molecular weight of 316.51 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol is sourced from PubChem (CID 10686922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).