(E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol

C13H24OSi — CID 13212257

IUPAC(E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
SMILESCC1C=C(C(O)/C=C/[Si](C)(C)C)CCC1
InChIInChI=1S/C13H24OSi/c1-11-6-5-7-12(10-11)13(14)8-9-15(2,3)4/h8-11,13-14H,5-7H2,1-4H3/b9-8+
InChIKeyLFUGXTYBNOBCMP-CMDGGOBGSA-N
MW224.42 g/mol
LogP3.53
Rot. Bonds3

About (E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol

(E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol (PubChem CID 13212257) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
PubChem CID13212257
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
SMILESCC1C=C(C(O)/C=C/[Si](C)(C)C)CCC1
InChIInChI=1S/C13H24OSi/c1-11-6-5-7-12(10-11)13(14)8-9-15(2,3)4/h8-11,13-14H,5-7H2,1-4H3/b9-8+
InChIKeyLFUGXTYBNOBCMP-CMDGGOBGSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.53
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 (E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol?
The IUPAC name of (E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol (CID 13212257) is (E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol.
What is the SMILES notation for (E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol?
The canonical SMILES for (E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol is CC1C=C(C(O)/C=C/[Si](C)(C)C)CCC1.
What is the InChIKey of (E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol?
The InChIKey is LFUGXTYBNOBCMP-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11-6-5-7-12(10-11)13(14)8-9-15(2,3)4/h8-11,13-14H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol?
(E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol has a molecular weight of 224.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol is sourced from PubChem (CID 13212257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).