(2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol

C19H34O2Si — CID 10543874

IUPAC(2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol
SMILESCC1=C(C#C[C@@H](C)O)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34O2Si/c1-14-12-16(21-22(8,9)18(3,4)5)13-19(6,7)17(14)11-10-15(2)20/h15-16,20H,12-13H2,1-9H3/t15-,16-/m1/s1
InChIKeyWSEQZQQYENBDNT-HZPDHXFCSA-N
MW322.57 g/mol
LogP4.90
Rot. Bonds2

About (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol

(2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol (PubChem CID 10543874) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol
PubChem CID10543874
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name(2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol
SMILESCC1=C(C#C[C@@H](C)O)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34O2Si/c1-14-12-16(21-22(8,9)18(3,4)5)13-19(6,7)17(14)11-10-15(2)20/h15-16,20H,12-13H2,1-9H3/t15-,16-/m1/s1
InChIKeyWSEQZQQYENBDNT-HZPDHXFCSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol?
The IUPAC name of (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol (CID 10543874) is (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol.
What is the SMILES notation for (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol?
The canonical SMILES for (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol is CC1=C(C#C[C@@H](C)O)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol?
The InChIKey is WSEQZQQYENBDNT-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-14-12-16(21-22(8,9)18(3,4)5)13-19(6,7)17(14)11-10-15(2)20/h15-16,20H,12-13H2,1-9H3/t15-,16-/m1/s1.
What are the key properties of (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol?
(2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol has a molecular weight of 322.57 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol is sourced from PubChem (CID 10543874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).