(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol

C16H32O2Si — CID 134858684

IUPAC(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol
SMILESC[C@H](CCC/C=C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-15(18-19(5,6)16(2,3)4)13-11-9-7-8-10-12-14-17/h7-8,10,12,15,17H,9,11,13-14H2,1-6H3/b8-7+,12-10+/t15-/m1/s1
InChIKeyMGJHZNGBNXKBFW-XRHFDLLDSA-N
MW284.52 g/mol
LogP4.67
Rot. Bonds8

About (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol

(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol (PubChem CID 134858684) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol
PubChem CID134858684
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol
SMILESC[C@H](CCC/C=C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-15(18-19(5,6)16(2,3)4)13-11-9-7-8-10-12-14-17/h7-8,10,12,15,17H,9,11,13-14H2,1-6H3/b8-7+,12-10+/t15-/m1/s1
InChIKeyMGJHZNGBNXKBFW-XRHFDLLDSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.67
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol?
The IUPAC name of (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol (CID 134858684) is (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol?
The canonical SMILES for (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol is C[C@H](CCC/C=C/C=C/CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol?
The InChIKey is MGJHZNGBNXKBFW-XRHFDLLDSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-15(18-19(5,6)16(2,3)4)13-11-9-7-8-10-12-14-17/h7-8,10,12,15,17H,9,11,13-14H2,1-6H3/b8-7+,12-10+/t15-/m1/s1.
What are the key properties of (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol?
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol is sourced from PubChem (CID 134858684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).