1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol

C15H28OSi — CID 13211421

IUPAC1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol
SMILESCCCC=C=C(C1(O)CCCCC1)[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-6-8-11-14(17(2,3)4)15(16)12-9-7-10-13-15/h8,16H,5-7,9-10,12-13H2,1-4H3
InChIKeyXFUBKGHVWABABC-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.44
Rot. Bonds4

About 1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol

1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol (PubChem CID 13211421) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol
PubChem CID13211421
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol
SMILESCCCC=C=C(C1(O)CCCCC1)[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-6-8-11-14(17(2,3)4)15(16)12-9-7-10-13-15/h8,16H,5-7,9-10,12-13H2,1-4H3
InChIKeyXFUBKGHVWABABC-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.44
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-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol (CID 13211421) is 1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol is CCCC=C=C(C1(O)CCCCC1)[Si](C)(C)C.
What is the InChIKey of 1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol?
The InChIKey is XFUBKGHVWABABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-5-6-8-11-14(17(2,3)4)15(16)12-9-7-10-13-15/h8,16H,5-7,9-10,12-13H2,1-4H3.
What are the key properties of 1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol?
1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol has a molecular weight of 252.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-trimethylsilylhexa-1,2-dienyl)cyclohexan-1-ol is sourced from PubChem (CID 13211421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).