(1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde

C21H38O2Si — CID 90227800

IUPAC(1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde
SMILESCC(C)[Si](O/C1=C/CCC/C=C(/C=O)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-17(2)24(18(3)4,19(5)6)23-21-14-9-7-8-12-20(16-22)13-10-11-15-21/h12,14,16-19H,7-11,13,15H2,1-6H3/b20-12+,21-14+
InChIKeyUIWVPXYRLHNNJO-KDXVVQHGSA-N
MW350.62 g/mol
LogP6.93
Rot. Bonds6

About (1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde

(1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde (PubChem CID 90227800) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is (1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde.

Molecular Properties

Compound Name(1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde
PubChem CID90227800
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name(1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde
SMILESCC(C)[Si](O/C1=C/CCC/C=C(/C=O)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-17(2)24(18(3)4,19(5)6)23-21-14-9-7-8-12-20(16-22)13-10-11-15-21/h12,14,16-19H,7-11,13,15H2,1-6H3/b20-12+,21-14+
InChIKeyUIWVPXYRLHNNJO-KDXVVQHGSA-N
XLogP6.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.93
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'}

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Frequently Asked Questions

What is the IUPAC name of (1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde?
The IUPAC name of (1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde (CID 90227800) is (1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde.
What is the SMILES notation for (1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde?
The canonical SMILES for (1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde is CC(C)[Si](O/C1=C/CCC/C=C(/C=O)CCCC1)(C(C)C)C(C)C.
What is the InChIKey of (1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde?
The InChIKey is UIWVPXYRLHNNJO-KDXVVQHGSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-17(2)24(18(3)4,19(5)6)23-21-14-9-7-8-12-20(16-22)13-10-11-15-21/h12,14,16-19H,7-11,13,15H2,1-6H3/b20-12+,21-14+.
What are the key properties of (1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde?
(1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde has a molecular weight of 350.62 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde is sourced from PubChem (CID 90227800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).