3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol

C13H26O2Si — CID 154290636

IUPAC3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
SMILESCC(C)(C)[SiH2]OC(C)(C)C1=CC(O)CCC1
InChIInChI=1S/C13H26O2Si/c1-12(2,3)16-15-13(4,5)10-7-6-8-11(14)9-10/h9,11,14H,6-8,16H2,1-5H3
InChIKeyVTZYSNGZJQDFKE-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.56
Rot. Bonds3

About 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol

3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol (PubChem CID 154290636) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
PubChem CID154290636
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
SMILESCC(C)(C)[SiH2]OC(C)(C)C1=CC(O)CCC1
InChIInChI=1S/C13H26O2Si/c1-12(2,3)16-15-13(4,5)10-7-6-8-11(14)9-10/h9,11,14H,6-8,16H2,1-5H3
InChIKeyVTZYSNGZJQDFKE-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol (CID 154290636) is 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol is CC(C)(C)[SiH2]OC(C)(C)C1=CC(O)CCC1.
What is the InChIKey of 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol?
The InChIKey is VTZYSNGZJQDFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12(2,3)16-15-13(4,5)10-7-6-8-11(14)9-10/h9,11,14H,6-8,16H2,1-5H3.
What are the key properties of 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol?
3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol has a molecular weight of 242.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 154290636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).