(E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal

C20H40O2Si — CID 10831058

IUPAC(E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal
SMILESCC[C@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)C=O
InChIInChI=1S/C20H40O2Si/c1-11-17(8)12-18(9)20(19(10)13-21)22-23(14(2)3,15(4)5)16(6)7/h12-17,19-20H,11H2,1-10H3/b18-12+/t17-,19?,20-/m0/s1
InChIKeyUHMLLUKAGPLCHP-WNPLYWFRSA-N
MW340.62 g/mol
LogP6.37
Rot. Bonds10

About (E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal

(E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal (PubChem CID 10831058) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is (E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal.

Molecular Properties

Compound Name(E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal
PubChem CID10831058
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name(E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal
SMILESCC[C@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)C=O
InChIInChI=1S/C20H40O2Si/c1-11-17(8)12-18(9)20(19(10)13-21)22-23(14(2)3,15(4)5)16(6)7/h12-17,19-20H,11H2,1-10H3/b18-12+/t17-,19?,20-/m0/s1
InChIKeyUHMLLUKAGPLCHP-WNPLYWFRSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal?
The IUPAC name of (E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal (CID 10831058) is (E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal.
What is the SMILES notation for (E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal?
The canonical SMILES for (E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal is CC[C@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)C=O.
What is the InChIKey of (E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal?
The InChIKey is UHMLLUKAGPLCHP-WNPLYWFRSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-11-17(8)12-18(9)20(19(10)13-21)22-23(14(2)3,15(4)5)16(6)7/h12-17,19-20H,11H2,1-10H3/b18-12+/t17-,19?,20-/m0/s1.
What are the key properties of (E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal?
(E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal has a molecular weight of 340.62 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enal is sourced from PubChem (CID 10831058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).