1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol

C24H40OSi — CID 25139389

IUPAC1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol
SMILESCCCCC#CC(O)C1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC1
InChIInChI=1S/C24H40OSi/c1-8-9-10-11-16-24(25)23-15-13-12-14-22(23)17-18-26(19(2)3,20(4)5)21(6)7/h19-21,24-25H,8-10,12-15H2,1-7H3
InChIKeyZWSGADCMBZBUMS-UHFFFAOYSA-N
MW372.67 g/mol
LogP6.63
Rot. Bonds6

About 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol

1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol (PubChem CID 25139389) has the molecular formula C24H40OSi and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol.

Molecular Properties

Compound Name1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol
PubChem CID25139389
Molecular FormulaC24H40OSi
Molecular Weight372.67 g/mol
Exact Mass372.28
IUPAC Name1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol
SMILESCCCCC#CC(O)C1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC1
InChIInChI=1S/C24H40OSi/c1-8-9-10-11-16-24(25)23-15-13-12-14-22(23)17-18-26(19(2)3,20(4)5)21(6)7/h19-21,24-25H,8-10,12-15H2,1-7H3
InChIKeyZWSGADCMBZBUMS-UHFFFAOYSA-N
XLogP6.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
CID 10739293
1-(Cyclohexen-1-yl)-3-trimethylsilylpropan-1-ol
CID 101386357
(1s,2r)-2-(t-Butyldimethylsilyl)-1-[2-(3-methyl-3-buten-1-ynyl)-1-cyclopentenyl]-4-(trimethylsilyl)-3-butyn-1-ol
CID 101997623
1-(2-Ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol
CID 134884576
4-Butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol
CID 134884962
4-Methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol
CID 134897048
Zdjynzkyxacxsf-uhfffaoysa-
CID 44631688
2-Methyl-3-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 85807164
(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-4-methyl-6-methylidenecyclohex-3-en-1-ol
CID 173668884
[(1Z)-7-methylidene-8-tri(propan-2-yl)silyloxycyclododec-1-en-5-yn-1-yl]methanol
CID 9999625
(2-Trimethylsilylcyclohexen-1-yl)methanol
CID 10397501
(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-ol
CID 10423289

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol?
The IUPAC name of 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol (CID 25139389) is 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol.
What is the SMILES notation for 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol?
The canonical SMILES for 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol is CCCCC#CC(O)C1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC1.
What is the InChIKey of 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol?
The InChIKey is ZWSGADCMBZBUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40OSi/c1-8-9-10-11-16-24(25)23-15-13-12-14-22(23)17-18-26(19(2)3,20(4)5)21(6)7/h19-21,24-25H,8-10,12-15H2,1-7H3.
What are the key properties of 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol?
1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol has a molecular weight of 372.67 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol is sourced from PubChem (CID 25139389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).