(E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol

C15H32O2Si — CID 10869444

IUPAC(E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol
SMILESC[C@@H](C/C=C/CO)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-14(10-7-8-12-16)11-9-13-17-18(5,6)15(2,3)4/h7-8,14,16H,9-13H2,1-6H3/b8-7+/t14-/m0/s1
InChIKeyRZZCVVISJQISOR-NPQIQWPPSA-N
MW272.50 g/mol
LogP4.36
Rot. Bonds8

About (E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol

(E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol (PubChem CID 10869444) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol.

Molecular Properties

Compound Name(E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol
PubChem CID10869444
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol
SMILESC[C@@H](C/C=C/CO)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-14(10-7-8-12-16)11-9-13-17-18(5,6)15(2,3)4/h7-8,14,16H,9-13H2,1-6H3/b8-7+/t14-/m0/s1
InChIKeyRZZCVVISJQISOR-NPQIQWPPSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.36
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 (E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol?
The IUPAC name of (E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol (CID 10869444) is (E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol.
What is the SMILES notation for (E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol?
The canonical SMILES for (E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol is C[C@@H](C/C=C/CO)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol?
The InChIKey is RZZCVVISJQISOR-NPQIQWPPSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-14(10-7-8-12-16)11-9-13-17-18(5,6)15(2,3)4/h7-8,14,16H,9-13H2,1-6H3/b8-7+/t14-/m0/s1.
What are the key properties of (E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol?
(E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol has a molecular weight of 272.50 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol is sourced from PubChem (CID 10869444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).