(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol

C15H28O2Si — CID 11129332

IUPAC(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol
SMILESC=C1CCC(O[Si](C)(C)C(C)(C)C)C/C1=C\CO
InChIInChI=1S/C15H28O2Si/c1-12-7-8-14(11-13(12)9-10-16)17-18(5,6)15(2,3)4/h9,14,16H,1,7-8,10-11H2,2-6H3/b13-9+
InChIKeyACGPHRQKCDCZAG-UKTHLTGXSA-N
MW268.47 g/mol
LogP4.04
Rot. Bonds3

About (2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol

(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol (PubChem CID 11129332) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol.

Molecular Properties

Compound Name(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol
PubChem CID11129332
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol
SMILESC=C1CCC(O[Si](C)(C)C(C)(C)C)C/C1=C\CO
InChIInChI=1S/C15H28O2Si/c1-12-7-8-14(11-13(12)9-10-16)17-18(5,6)15(2,3)4/h9,14,16H,1,7-8,10-11H2,2-6H3/b13-9+
InChIKeyACGPHRQKCDCZAG-UKTHLTGXSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol?
The IUPAC name of (2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol (CID 11129332) is (2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol.
What is the SMILES notation for (2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol?
The canonical SMILES for (2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol is C=C1CCC(O[Si](C)(C)C(C)(C)C)C/C1=C\CO.
What is the InChIKey of (2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol?
The InChIKey is ACGPHRQKCDCZAG-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12-7-8-14(11-13(12)9-10-16)17-18(5,6)15(2,3)4/h9,14,16H,1,7-8,10-11H2,2-6H3/b13-9+.
What are the key properties of (2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol?
(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol has a molecular weight of 268.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol is sourced from PubChem (CID 11129332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).