3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol

C18H30O2Si — CID 19751853

IUPAC3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol
SMILESC=CC(C)(O)C#CC1=C(C)CC(O[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C18H30O2Si/c1-9-18(5,19)11-10-16-14(2)12-15(13-17(16,3)4)20-21(6,7)8/h9,15,19H,1,12-13H2,2-8H3
InChIKeyLBGJSZVKAMXHRW-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.28
Rot. Bonds3

About 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol

3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol (PubChem CID 19751853) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol
PubChem CID19751853
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol
SMILESC=CC(C)(O)C#CC1=C(C)CC(O[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C18H30O2Si/c1-9-18(5,19)11-10-16-14(2)12-15(13-17(16,3)4)20-21(6,7)8/h9,15,19H,1,12-13H2,2-8H3
InChIKeyLBGJSZVKAMXHRW-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-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 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol?
The IUPAC name of 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol (CID 19751853) is 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol.
What is the SMILES notation for 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol?
The canonical SMILES for 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol is C=CC(C)(O)C#CC1=C(C)CC(O[Si](C)(C)C)CC1(C)C.
What is the InChIKey of 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol?
The InChIKey is LBGJSZVKAMXHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-9-18(5,19)11-10-16-14(2)12-15(13-17(16,3)4)20-21(6,7)8/h9,15,19H,1,12-13H2,2-8H3.
What are the key properties of 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol?
3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol has a molecular weight of 306.52 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)pent-1-en-4-yn-3-ol is sourced from PubChem (CID 19751853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).