(2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol

C26H50O5Si — CID 90700206

IUPAC(2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
SMILESC=CCCC=CC(OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)C(C)=C[C@H](C)CO
InChIInChI=1S/C26H50O5Si/c1-10-14-15-16-17-24(29-9)26(30-20-28-8)23(7)25(22(6)18-21(5)19-27)31-32(11-2,12-3)13-4/h10,16-18,21,23-27H,1,11-15,19-20H2,2-9H3/t21-,23+,24?,25-,26-/m0/s1
InChIKeyMHFSLIFDDPXZEM-FUVJGYMZSA-N
MW470.77 g/mol
LogP6.11
Rot. Bonds19

About (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol

(2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol (PubChem CID 90700206) has the molecular formula C26H50O5Si and a molecular weight of 470.77 g/mol. Its IUPAC name is (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol.

Molecular Properties

Compound Name(2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
PubChem CID90700206
Molecular FormulaC26H50O5Si
Molecular Weight470.77 g/mol
Exact Mass470.34
IUPAC Name(2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
SMILESC=CCCC=CC(OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)C(C)=C[C@H](C)CO
InChIInChI=1S/C26H50O5Si/c1-10-14-15-16-17-24(29-9)26(30-20-28-8)23(7)25(22(6)18-21(5)19-27)31-32(11-2,12-3)13-4/h10,16-18,21,23-27H,1,11-15,19-20H2,2-9H3/t21-,23+,24?,25-,26-/m0/s1
InChIKeyMHFSLIFDDPXZEM-FUVJGYMZSA-N
XLogP6.11
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 56.11
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'}

Analyze (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-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

(3aS,4R,7S,7aR)-3a-[(Z)-8,8-dimethoxyoct-1-enyl]-2,2-dimethyl-7-tri(propan-2-yl)silyloxy-7,7a-dihydro-4H-1,3-benzodioxol-4-ol
CID 140808404
(Z,1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-en-1-ol
CID 12158800
(2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9,11,15,17-heptamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol
CID 24740598
(2E,4E,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-methylundeca-2,4,10-trien-1-ol
CID 46197056
(E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol
CID 134875186
(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol
CID 134875286
(3S,4E,6S,7S,9R,10R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methoxy-4,6-dimethyldodeca-4,11-diene-1,9-diol
CID 135019760
(2E,4R,5R,7E,9E,13S,14S)-13-(methoxymethoxy)-2,4,7-trimethyl-14-tri(propan-2-yl)silyloxyhexadeca-2,7,9,15-tetraene-1,5-diol
CID 139252214
2-[6-[6-(tert-Butyldimethylsilanyloxy)hept-1-enyl]-3-(2-methoxyethoxymethoxy) tetrahydropyran-2-yl]ethanol
CID 145864151
(1R,5R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-5,6-bis(methoxymethoxy)-4,4-dimethylhept-2-yn-1-ol
CID 164668910
[(1s,2r,5s)-2-{[(t-Butyldimethylsilyl)oxy]methyl}-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol
CID 172645702
[(1r,4s,5s)-5-{[(t-Butyldimethylsilyl)oxy]methyl}-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
CID 172645703

Frequently Asked Questions

What is the IUPAC name of (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol?
The IUPAC name of (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol (CID 90700206) is (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol.
What is the SMILES notation for (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol?
The canonical SMILES for (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol is C=CCCC=CC(OC)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)C(C)=C[C@H](C)CO.
What is the InChIKey of (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol?
The InChIKey is MHFSLIFDDPXZEM-FUVJGYMZSA-N. The full InChI is InChI=1S/C26H50O5Si/c1-10-14-15-16-17-24(29-9)26(30-20-28-8)23(7)25(22(6)18-21(5)19-27)31-32(11-2,12-3)13-4/h10,16-18,21,23-27H,1,11-15,19-20H2,2-9H3/t21-,23+,24?,25-,26-/m0/s1.
What are the key properties of (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol?
(2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol has a molecular weight of 470.77 g/mol, XLogP of 6.11, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol is sourced from PubChem (CID 90700206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).