1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol

C25H42OSi — CID 102353587

IUPAC1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol
SMILESCC(C)(C#C[Si](C)(C)C(C)(C)C)CC(O)C#CC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C25H42OSi/c1-23(2,3)21-14-11-20(12-15-21)13-16-22(26)19-25(7,8)17-18-27(9,10)24(4,5)6/h11,21-22,26H,12,14-15,19H2,1-10H3
InChIKeyVWLUCOVUTBOQOM-UHFFFAOYSA-N
MW386.70 g/mol
LogP6.59
Rot. Bonds2

About 1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol

1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol (PubChem CID 102353587) has the molecular formula C25H42OSi and a molecular weight of 386.70 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol
PubChem CID102353587
Molecular FormulaC25H42OSi
Molecular Weight386.70 g/mol
Exact Mass386.30
IUPAC Name1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol
SMILESCC(C)(C#C[Si](C)(C)C(C)(C)C)CC(O)C#CC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C25H42OSi/c1-23(2,3)21-14-11-20(12-15-21)13-16-22(26)19-25(7,8)17-18-27(9,10)24(4,5)6/h11,21-22,26H,12,14-15,19H2,1-10H3
InChIKeyVWLUCOVUTBOQOM-UHFFFAOYSA-N
XLogP6.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.70
LogP ≤ 56.59
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 1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol?
The IUPAC name of 1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol (CID 102353587) is 1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol.
What is the SMILES notation for 1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol?
The canonical SMILES for 1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol is CC(C)(C#C[Si](C)(C)C(C)(C)C)CC(O)C#CC1=CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol?
The InChIKey is VWLUCOVUTBOQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42OSi/c1-23(2,3)21-14-11-20(12-15-21)13-16-22(26)19-25(7,8)17-18-27(9,10)24(4,5)6/h11,21-22,26H,12,14-15,19H2,1-10H3.
What are the key properties of 1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol?
1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol has a molecular weight of 386.70 g/mol, XLogP of 6.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexen-1-yl)-7-[tert-butyl(dimethyl)silyl]-5,5-dimethylhepta-1,6-diyn-3-ol is sourced from PubChem (CID 102353587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).