(Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol

C13H26OSi — CID 20765031

IUPAC(Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol
SMILESC/C=C(/C(O)C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-5-12(15(2,3)4)13(14)11-9-7-6-8-10-11/h5,11,13-14H,6-10H2,1-4H3/b12-5-
InChIKeyQVULRWPLVXVSHD-XGICHPGQSA-N
MW226.44 g/mol
LogP3.75
Rot. Bonds3

About (Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol

(Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol (PubChem CID 20765031) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol
PubChem CID20765031
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol
SMILESC/C=C(/C(O)C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-5-12(15(2,3)4)13(14)11-9-7-6-8-10-11/h5,11,13-14H,6-10H2,1-4H3/b12-5-
InChIKeyQVULRWPLVXVSHD-XGICHPGQSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.75
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 (Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol?
The IUPAC name of (Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol (CID 20765031) is (Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol.
What is the SMILES notation for (Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol?
The canonical SMILES for (Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol is C/C=C(/C(O)C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of (Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol?
The InChIKey is QVULRWPLVXVSHD-XGICHPGQSA-N. The full InChI is InChI=1S/C13H26OSi/c1-5-12(15(2,3)4)13(14)11-9-7-6-8-10-11/h5,11,13-14H,6-10H2,1-4H3/b12-5-.
What are the key properties of (Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol?
(Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol has a molecular weight of 226.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexyl-2-trimethylsilylbut-2-en-1-ol is sourced from PubChem (CID 20765031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).