(2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one

C25H44O2Si — CID 134758304

IUPAC(2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one
SMILESC/C1=C\CC/C(C)=C/CCC(C)(CCO[Si](C)(C)C(C)(C)C)C(=O)/C=C/CC1
InChIInChI=1S/C25H44O2Si/c1-21-13-9-10-17-23(26)25(6,18-12-16-22(2)15-11-14-21)19-20-27-28(7,8)24(3,4)5/h10,14,16-17H,9,11-13,15,18-20H2,1-8H3/b17-10+,21-14+,22-16+
InChIKeyPKQHKSAHGDFLDE-SBCXIMPHSA-N
MW404.71 g/mol
LogP7.78
Rot. Bonds4

About (2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one

(2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one (PubChem CID 134758304) has the molecular formula C25H44O2Si and a molecular weight of 404.71 g/mol. Its IUPAC name is (2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one.

Molecular Properties

Compound Name(2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one
PubChem CID134758304
Molecular FormulaC25H44O2Si
Molecular Weight404.71 g/mol
Exact Mass404.31
IUPAC Name(2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one
SMILESC/C1=C\CC/C(C)=C/CCC(C)(CCO[Si](C)(C)C(C)(C)C)C(=O)/C=C/CC1
InChIInChI=1S/C25H44O2Si/c1-21-13-9-10-17-23(26)25(6,18-12-16-22(2)15-11-14-21)19-20-27-28(7,8)24(3,4)5/h10,14,16-17H,9,11-13,15,18-20H2,1-8H3/b17-10+,21-14+,22-16+
InChIKeyPKQHKSAHGDFLDE-SBCXIMPHSA-N
XLogP7.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.71
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one?
The IUPAC name of (2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one (CID 134758304) is (2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one.
What is the SMILES notation for (2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one?
The canonical SMILES for (2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one is C/C1=C\CC/C(C)=C/CCC(C)(CCO[Si](C)(C)C(C)(C)C)C(=O)/C=C/CC1.
What is the InChIKey of (2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one?
The InChIKey is PKQHKSAHGDFLDE-SBCXIMPHSA-N. The full InChI is InChI=1S/C25H44O2Si/c1-21-13-9-10-17-23(26)25(6,18-12-16-22(2)15-11-14-21)19-20-27-28(7,8)24(3,4)5/h10,14,16-17H,9,11-13,15,18-20H2,1-8H3/b17-10+,21-14+,22-16+.
What are the key properties of (2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one?
(2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one has a molecular weight of 404.71 g/mol, XLogP of 7.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-14-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,10,14-trimethylcyclotetradeca-2,6,10-trien-1-one is sourced from PubChem (CID 134758304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).