(1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol

C14H24OSi — CID 11572221

IUPAC(1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol
SMILESCC1=C(C#C[Si](C)(C)C)C(C)(C)CC[C@@H]1O
InChIInChI=1S/C14H24OSi/c1-11-12(8-10-16(4,5)6)14(2,3)9-7-13(11)15/h13,15H,7,9H2,1-6H3/t13-/m0/s1
InChIKeyZDJYNZKYXACXSF-ZDUSSCGKSA-N
MW236.43 g/mol
LogP3.36
Rot. Bonds

About (1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol

(1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol (PubChem CID 11572221) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is (1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol
PubChem CID11572221
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name(1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol
SMILESCC1=C(C#C[Si](C)(C)C)C(C)(C)CC[C@@H]1O
InChIInChI=1S/C14H24OSi/c1-11-12(8-10-16(4,5)6)14(2,3)9-7-13(11)15/h13,15H,7,9H2,1-6H3/t13-/m0/s1
InChIKeyZDJYNZKYXACXSF-ZDUSSCGKSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol?
The IUPAC name of (1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol (CID 11572221) is (1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol?
The canonical SMILES for (1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol is CC1=C(C#C[Si](C)(C)C)C(C)(C)CC[C@@H]1O.
What is the InChIKey of (1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol?
The InChIKey is ZDJYNZKYXACXSF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24OSi/c1-11-12(8-10-16(4,5)6)14(2,3)9-7-13(11)15/h13,15H,7,9H2,1-6H3/t13-/m0/s1.
What are the key properties of (1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol?
(1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol has a molecular weight of 236.43 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 11572221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).