[(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane

C26H48O3Si — CID 45258090

IUPAC[(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
SMILESCCC(=C/[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)/C=C/[C@H]1CC=C[C@H](OC(C)C)O1
InChIInChI=1S/C26H48O3Si/c1-11-24(15-16-25-13-12-14-26(29-25)28-19(2)3)17-23(10)18-27-30(20(4)5,21(6)7)22(8)9/h12,14-17,19-23,25-26H,11,13,18H2,1-10H3/b16-15+,24-17-/t23-,25+,26+/m0/s1
InChIKeyNHMPXYILUXRPBW-SKLXNTAFSA-N
MW436.75 g/mol
LogP7.80
Rot. Bonds12

About [(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane

[(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane (PubChem CID 45258090) has the molecular formula C26H48O3Si and a molecular weight of 436.75 g/mol. Its IUPAC name is [(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
PubChem CID45258090
Molecular FormulaC26H48O3Si
Molecular Weight436.75 g/mol
Exact Mass436.34
IUPAC Name[(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
SMILESCCC(=C/[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)/C=C/[C@H]1CC=C[C@H](OC(C)C)O1
InChIInChI=1S/C26H48O3Si/c1-11-24(15-16-25-13-12-14-26(29-25)28-19(2)3)17-23(10)18-27-30(20(4)5,21(6)7)22(8)9/h12,14-17,19-23,25-26H,11,13,18H2,1-10H3/b16-15+,24-17-/t23-,25+,26+/m0/s1
InChIKeyNHMPXYILUXRPBW-SKLXNTAFSA-N
XLogP7.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.75
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane (CID 45258090) is [(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane is CCC(=C/[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)/C=C/[C@H]1CC=C[C@H](OC(C)C)O1.
What is the InChIKey of [(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is NHMPXYILUXRPBW-SKLXNTAFSA-N. The full InChI is InChI=1S/C26H48O3Si/c1-11-24(15-16-25-13-12-14-26(29-25)28-19(2)3)17-23(10)18-27-30(20(4)5,21(6)7)22(8)9/h12,14-17,19-23,25-26H,11,13,18H2,1-10H3/b16-15+,24-17-/t23-,25+,26+/m0/s1.
What are the key properties of [(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
[(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 436.75 g/mol, XLogP of 7.80, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3Z,5E)-4-ethyl-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 45258090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).