(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol

C18H36O2Si — CID 23253472

IUPAC(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol
SMILESC/C(=C\CCCO)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-16(11-8-9-14-19)12-10-13-17(2)15-20-21(6,7)18(3,4)5/h11,13,19H,8-10,12,14-15H2,1-7H3/b16-11+,17-13+
InChIKeyAZZXGXBHZXKNJZ-IUBLYSDUSA-N
MW312.57 g/mol
LogP5.45
Rot. Bonds9

About (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol

(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol (PubChem CID 23253472) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol.

Molecular Properties

Compound Name(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol
PubChem CID23253472
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol
SMILESC/C(=C\CCCO)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-16(11-8-9-14-19)12-10-13-17(2)15-20-21(6,7)18(3,4)5/h11,13,19H,8-10,12,14-15H2,1-7H3/b16-11+,17-13+
InChIKeyAZZXGXBHZXKNJZ-IUBLYSDUSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.45
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 (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol?
The IUPAC name of (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol (CID 23253472) is (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol.
What is the SMILES notation for (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol?
The canonical SMILES for (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol is C/C(=C\CCCO)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol?
The InChIKey is AZZXGXBHZXKNJZ-IUBLYSDUSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-16(11-8-9-14-19)12-10-13-17(2)15-20-21(6,7)18(3,4)5/h11,13,19H,8-10,12,14-15H2,1-7H3/b16-11+,17-13+.
What are the key properties of (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol?
(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol is sourced from PubChem (CID 23253472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).