1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol

C23H46OSi — CID 15049562

IUPAC1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol
SMILESC=C(C)C(C[Si](CCCC)(CCCC)CCCC)C1(O)CCCCC1
InChIInChI=1S/C23H46OSi/c1-6-9-17-25(18-10-7-2,19-11-8-3)20-22(21(4)5)23(24)15-13-12-14-16-23/h22,24H,4,6-20H2,1-3,5H3
InChIKeyGAQFVVFMTZIZRA-UHFFFAOYSA-N
MW366.71 g/mol
LogP7.72
Rot. Bonds13

About 1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol

1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol (PubChem CID 15049562) has the molecular formula C23H46OSi and a molecular weight of 366.71 g/mol. Its IUPAC name is 1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol
PubChem CID15049562
Molecular FormulaC23H46OSi
Molecular Weight366.71 g/mol
Exact Mass366.33
IUPAC Name1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol
SMILESC=C(C)C(C[Si](CCCC)(CCCC)CCCC)C1(O)CCCCC1
InChIInChI=1S/C23H46OSi/c1-6-9-17-25(18-10-7-2,19-11-8-3)20-22(21(4)5)23(24)15-13-12-14-16-23/h22,24H,4,6-20H2,1-3,5H3
InChIKeyGAQFVVFMTZIZRA-UHFFFAOYSA-N
XLogP7.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.71
LogP ≤ 57.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol (CID 15049562) is 1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol is C=C(C)C(C[Si](CCCC)(CCCC)CCCC)C1(O)CCCCC1.
What is the InChIKey of 1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol?
The InChIKey is GAQFVVFMTZIZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46OSi/c1-6-9-17-25(18-10-7-2,19-11-8-3)20-22(21(4)5)23(24)15-13-12-14-16-23/h22,24H,4,6-20H2,1-3,5H3.
What are the key properties of 1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol?
1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol has a molecular weight of 366.71 g/mol, XLogP of 7.72, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 15049562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).