(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid

C16H26O3Si — CID 59721609

IUPAC(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid
SMILESC/C=C/C=C/[C@H](CC#CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26O3Si/c1-7-8-9-11-14(12-10-13-15(17)18)19-20(5,6)16(2,3)4/h7-9,11,14H,12H2,1-6H3,(H,17,18)/b8-7+,11-9+/t14-/m1/s1
InChIKeyOSZAYLFCCVYJAY-JMKJMSHVSA-N
MW294.47 g/mol
LogP3.99
Rot. Bonds5

About (5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid

(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid (PubChem CID 59721609) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid.

Molecular Properties

Compound Name(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid
PubChem CID59721609
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid
SMILESC/C=C/C=C/[C@H](CC#CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26O3Si/c1-7-8-9-11-14(12-10-13-15(17)18)19-20(5,6)16(2,3)4/h7-9,11,14H,12H2,1-6H3,(H,17,18)/b8-7+,11-9+/t14-/m1/s1
InChIKeyOSZAYLFCCVYJAY-JMKJMSHVSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid?
The IUPAC name of (5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid (CID 59721609) is (5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid.
What is the SMILES notation for (5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid?
The canonical SMILES for (5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid is C/C=C/C=C/[C@H](CC#CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid?
The InChIKey is OSZAYLFCCVYJAY-JMKJMSHVSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-7-8-9-11-14(12-10-13-15(17)18)19-20(5,6)16(2,3)4/h7-9,11,14H,12H2,1-6H3,(H,17,18)/b8-7+,11-9+/t14-/m1/s1.
What are the key properties of (5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid?
(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid has a molecular weight of 294.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid is sourced from PubChem (CID 59721609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).