(1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol

C16H28OSi — CID 14221277

IUPAC(1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol
SMILESC[C@H]1[C@H](O)C=C(CCC#C[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C16H28OSi/c1-13-15(17)11-14(12-16(13,2)3)9-7-8-10-18(4,5)6/h11,13,15,17H,7,9,12H2,1-6H3/t13-,15+/m0/s1
InChIKeyDZCRXEMUTKOQON-DZGCQCFKSA-N
MW264.48 g/mol
LogP4.00
Rot. Bonds2

About (1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol

(1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol (PubChem CID 14221277) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is (1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol
PubChem CID14221277
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name(1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol
SMILESC[C@H]1[C@H](O)C=C(CCC#C[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C16H28OSi/c1-13-15(17)11-14(12-16(13,2)3)9-7-8-10-18(4,5)6/h11,13,15,17H,7,9,12H2,1-6H3/t13-,15+/m0/s1
InChIKeyDZCRXEMUTKOQON-DZGCQCFKSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol?
The IUPAC name of (1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol (CID 14221277) is (1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol?
The canonical SMILES for (1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol is C[C@H]1[C@H](O)C=C(CCC#C[Si](C)(C)C)CC1(C)C.
What is the InChIKey of (1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol?
The InChIKey is DZCRXEMUTKOQON-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H28OSi/c1-13-15(17)11-14(12-16(13,2)3)9-7-8-10-18(4,5)6/h11,13,15,17H,7,9,12H2,1-6H3/t13-,15+/m0/s1.
What are the key properties of (1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol?
(1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol has a molecular weight of 264.48 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 14221277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).