1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol

C16H32OSi — CID 12022457

IUPAC1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol
SMILESC/C(=C\[Si](C)(C)C(C)(C)C)CC1(O)CCCCC1
InChIInChI=1S/C16H32OSi/c1-14(13-18(5,6)15(2,3)4)12-16(17)10-8-7-9-11-16/h13,17H,7-12H2,1-6H3/b14-13+
InChIKeyAKHRGVQMTOZEPC-BUHFOSPRSA-N
MW268.52 g/mol
LogP5.07
Rot. Bonds3

About 1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol

1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol (PubChem CID 12022457) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is 1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol
PubChem CID12022457
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol
SMILESC/C(=C\[Si](C)(C)C(C)(C)C)CC1(O)CCCCC1
InChIInChI=1S/C16H32OSi/c1-14(13-18(5,6)15(2,3)4)12-16(17)10-8-7-9-11-16/h13,17H,7-12H2,1-6H3/b14-13+
InChIKeyAKHRGVQMTOZEPC-BUHFOSPRSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol (CID 12022457) is 1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol is C/C(=C\[Si](C)(C)C(C)(C)C)CC1(O)CCCCC1.
What is the InChIKey of 1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol?
The InChIKey is AKHRGVQMTOZEPC-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H32OSi/c1-14(13-18(5,6)15(2,3)4)12-16(17)10-8-7-9-11-16/h13,17H,7-12H2,1-6H3/b14-13+.
What are the key properties of 1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol?
1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol has a molecular weight of 268.52 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enyl]cyclohexan-1-ol is sourced from PubChem (CID 12022457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).