(Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol

C20H42O3Si — CID 11844710

IUPAC(Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol
SMILESC/C=C\[C@@H](C)[C@H](O)[C@H](C)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C20H42O3Si/c1-11-12-17(8)20(21)18(9)19(22-10)13-23-24(14(2)3,15(4)5)16(6)7/h11-12,14-21H,13H2,1-10H3/b12-11-/t17-,18-,19+,20+/m1/s1
InChIKeyHBRMDRVMNWYXIW-MOJNAGKVSA-N
MW358.64 g/mol
LogP5.40
Rot. Bonds11

About (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol

(Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol (PubChem CID 11844710) has the molecular formula C20H42O3Si and a molecular weight of 358.64 g/mol. Its IUPAC name is (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol.

Molecular Properties

Compound Name(Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol
PubChem CID11844710
Molecular FormulaC20H42O3Si
Molecular Weight358.64 g/mol
Exact Mass358.29
IUPAC Name(Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol
SMILESC/C=C\[C@@H](C)[C@H](O)[C@H](C)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C20H42O3Si/c1-11-12-17(8)20(21)18(9)19(22-10)13-23-24(14(2)3,15(4)5)16(6)7/h11-12,14-21H,13H2,1-10H3/b12-11-/t17-,18-,19+,20+/m1/s1
InChIKeyHBRMDRVMNWYXIW-MOJNAGKVSA-N
XLogP5.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 55.40
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 (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol with MolForge

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Related Compounds

(2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol
CID 11843752
(E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
CID 101204271
(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol
CID 11376118
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821
(Z)-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol
CID 139691180
[(2S)-3-methoxy-2-methylpropoxy]-tri(propan-2-yl)silane
CID 57434729
1-tri(propan-2-yl)silyloxybut-3-yn-2-ol
CID 102024354
3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol
CID 6710222
[(Z,2S)-4-iodo-2-methylpent-3-enoxy]-tri(propan-2-yl)silane
CID 11176499
2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
CID 71345142
(4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol
CID 102322037
[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate
CID 101178492

Frequently Asked Questions

What is the IUPAC name of (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol?
The IUPAC name of (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol (CID 11844710) is (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol.
What is the SMILES notation for (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol?
The canonical SMILES for (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol is C/C=C\[C@@H](C)[C@H](O)[C@H](C)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol?
The InChIKey is HBRMDRVMNWYXIW-MOJNAGKVSA-N. The full InChI is InChI=1S/C20H42O3Si/c1-11-12-17(8)20(21)18(9)19(22-10)13-23-24(14(2)3,15(4)5)16(6)7/h11-12,14-21H,13H2,1-10H3/b12-11-/t17-,18-,19+,20+/m1/s1.
What are the key properties of (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol?
(Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol has a molecular weight of 358.64 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol is sourced from PubChem (CID 11844710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).