2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol

C12H24O2Si — CID 121003415

IUPAC2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol
SMILESCC(C)(O)C1CC=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C12H24O2Si/c1-12(2,13)10-6-8-11(9-7-10)14-15(3,4)5/h8,10,13H,6-7,9H2,1-5H3
InChIKeyLDIYXQSKZBKZTH-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.29
Rot. Bonds3

About 2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol

2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol (PubChem CID 121003415) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol
PubChem CID121003415
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol
SMILESCC(C)(O)C1CC=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C12H24O2Si/c1-12(2,13)10-6-8-11(9-7-10)14-15(3,4)5/h8,10,13H,6-7,9H2,1-5H3
InChIKeyLDIYXQSKZBKZTH-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol?
The IUPAC name of 2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol (CID 121003415) is 2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol.
What is the SMILES notation for 2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol?
The canonical SMILES for 2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol is CC(C)(O)C1CC=C(O[Si](C)(C)C)CC1.
What is the InChIKey of 2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol?
The InChIKey is LDIYXQSKZBKZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,13)10-6-8-11(9-7-10)14-15(3,4)5/h8,10,13H,6-7,9H2,1-5H3.
What are the key properties of 2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol?
2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol has a molecular weight of 228.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-trimethylsilyloxycyclohex-3-en-1-yl)propan-2-ol is sourced from PubChem (CID 121003415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).