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

C28H48OSi — CID 15049568

IUPAC1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol
SMILESC=C(c1ccccc1)C(C[Si](CCCC)(CCCC)CCCC)C1(O)CCCCC1
InChIInChI=1S/C28H48OSi/c1-5-8-21-30(22-9-6-2,23-10-7-3)24-27(28(29)19-15-12-16-20-28)25(4)26-17-13-11-14-18-26/h11,13-14,17-18,27,29H,4-10,12,15-16,19-24H2,1-3H3
InChIKeyRVYSVCJJWQUADA-UHFFFAOYSA-N
MW428.78 g/mol
LogP8.86
Rot. Bonds14

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

1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol (PubChem CID 15049568) has the molecular formula C28H48OSi and a molecular weight of 428.78 g/mol. Its IUPAC name is 1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol
PubChem CID15049568
Molecular FormulaC28H48OSi
Molecular Weight428.78 g/mol
Exact Mass428.35
IUPAC Name1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol
SMILESC=C(c1ccccc1)C(C[Si](CCCC)(CCCC)CCCC)C1(O)CCCCC1
InChIInChI=1S/C28H48OSi/c1-5-8-21-30(22-9-6-2,23-10-7-3)24-27(28(29)19-15-12-16-20-28)25(4)26-17-13-11-14-18-26/h11,13-14,17-18,27,29H,4-10,12,15-16,19-24H2,1-3H3
InChIKeyRVYSVCJJWQUADA-UHFFFAOYSA-N
XLogP8.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.78
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol (CID 15049568) is 1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol is C=C(c1ccccc1)C(C[Si](CCCC)(CCCC)CCCC)C1(O)CCCCC1.
What is the InChIKey of 1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol?
The InChIKey is RVYSVCJJWQUADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48OSi/c1-5-8-21-30(22-9-6-2,23-10-7-3)24-27(28(29)19-15-12-16-20-28)25(4)26-17-13-11-14-18-26/h11,13-14,17-18,27,29H,4-10,12,15-16,19-24H2,1-3H3.
What are the key properties of 1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol?
1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol has a molecular weight of 428.78 g/mol, XLogP of 8.86, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1-tributylsilylbut-3-en-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 15049568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).