(2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol

C15H30O2Si — CID 101171663

IUPAC(2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C\CCC/C=C/CO
InChIInChI=1S/C15H30O2Si/c1-15(2,3)18(4,5)17-14-12-10-8-6-7-9-11-13-16/h9-12,16H,6-8,13-14H2,1-5H3/b11-9+,12-10-
InChIKeyBDDOELIYPBHGFV-IXIPZQGVSA-N
MW270.49 g/mol
LogP4.28
Rot. Bonds8

About (2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol

(2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol (PubChem CID 101171663) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol.

Molecular Properties

Compound Name(2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol
PubChem CID101171663
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C\CCC/C=C/CO
InChIInChI=1S/C15H30O2Si/c1-15(2,3)18(4,5)17-14-12-10-8-6-7-9-11-13-16/h9-12,16H,6-8,13-14H2,1-5H3/b11-9+,12-10-
InChIKeyBDDOELIYPBHGFV-IXIPZQGVSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol?
The IUPAC name of (2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol (CID 101171663) is (2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol.
What is the SMILES notation for (2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol?
The canonical SMILES for (2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol is CC(C)(C)[Si](C)(C)OC/C=C\CCC/C=C/CO.
What is the InChIKey of (2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol?
The InChIKey is BDDOELIYPBHGFV-IXIPZQGVSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-15(2,3)18(4,5)17-14-12-10-8-6-7-9-11-13-16/h9-12,16H,6-8,13-14H2,1-5H3/b11-9+,12-10-.
What are the key properties of (2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol?
(2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol has a molecular weight of 270.49 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol is sourced from PubChem (CID 101171663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).