[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane

C25H48O3Si — CID 134887217

IUPAC[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
SMILESCC(=C/[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)/C=C/[C@H]1CCC[C@H](OC(C)C)O1
InChIInChI=1S/C25H48O3Si/c1-18(2)27-25-13-11-12-24(28-25)15-14-22(9)16-23(10)17-26-29(19(3)4,20(5)6)21(7)8/h14-16,18-21,23-25H,11-13,17H2,1-10H3/b15-14+,22-16-/t23-,24+,25+/m0/s1
InChIKeyBFVAJCFVWZPUSE-LHMACSPOSA-N
MW424.74 g/mol
LogP7.64
Rot. Bonds11

About [(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane

[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane (PubChem CID 134887217) has the molecular formula C25H48O3Si and a molecular weight of 424.74 g/mol. Its IUPAC name is [(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
PubChem CID134887217
Molecular FormulaC25H48O3Si
Molecular Weight424.74 g/mol
Exact Mass424.34
IUPAC Name[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
SMILESCC(=C/[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)/C=C/[C@H]1CCC[C@H](OC(C)C)O1
InChIInChI=1S/C25H48O3Si/c1-18(2)27-25-13-11-12-24(28-25)15-14-22(9)16-23(10)17-26-29(19(3)4,20(5)6)21(7)8/h14-16,18-21,23-25H,11-13,17H2,1-10H3/b15-14+,22-16-/t23-,24+,25+/m0/s1
InChIKeyBFVAJCFVWZPUSE-LHMACSPOSA-N
XLogP7.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.74
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane (CID 134887217) is [(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane is CC(=C/[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)/C=C/[C@H]1CCC[C@H](OC(C)C)O1.
What is the InChIKey of [(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is BFVAJCFVWZPUSE-LHMACSPOSA-N. The full InChI is InChI=1S/C25H48O3Si/c1-18(2)27-25-13-11-12-24(28-25)15-14-22(9)16-23(10)17-26-29(19(3)4,20(5)6)21(7)8/h14-16,18-21,23-25H,11-13,17H2,1-10H3/b15-14+,22-16-/t23-,24+,25+/m0/s1.
What are the key properties of [(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 424.74 g/mol, XLogP of 7.64, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134887217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).