4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol

C16H32O2Si — CID 20767222

IUPAC4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol
SMILESCC1(O)C=CC(C(C)(C)O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H32O2Si/c1-14(2,3)19(7,8)18-15(4,5)13-9-11-16(6,17)12-10-13/h9,11,13,17H,10,12H2,1-8H3
InChIKeyAXQYVBVPWMRFDU-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.50
Rot. Bonds3

About 4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol

4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol (PubChem CID 20767222) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol
PubChem CID20767222
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol
SMILESCC1(O)C=CC(C(C)(C)O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H32O2Si/c1-14(2,3)19(7,8)18-15(4,5)13-9-11-16(6,17)12-10-13/h9,11,13,17H,10,12H2,1-8H3
InChIKeyAXQYVBVPWMRFDU-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.50
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 4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol?
The IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol (CID 20767222) is 4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol?
The canonical SMILES for 4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol is CC1(O)C=CC(C(C)(C)O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of 4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol?
The InChIKey is AXQYVBVPWMRFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-14(2,3)19(7,8)18-15(4,5)13-9-11-16(6,17)12-10-13/h9,11,13,17H,10,12H2,1-8H3.
What are the key properties of 4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol?
4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 20767222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).