2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol

C31H40O3Si — CID 16663405

IUPAC2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol
SMILESCC(C)(C)[Si](OCCCc1ccc(C2=CCCCC2CCO)o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O3Si/c1-31(2,3)35(27-15-6-4-7-16-27,28-17-8-5-9-18-28)33-24-12-14-26-20-21-30(34-26)29-19-11-10-13-25(29)22-23-32/h4-9,15-21,25,32H,10-14,22-24H2,1-3H3
InChIKeyPUROUIRFFJPQKY-UHFFFAOYSA-N
MW488.74 g/mol
LogP6.35
Rot. Bonds10

About 2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol

2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol (PubChem CID 16663405) has the molecular formula C31H40O3Si and a molecular weight of 488.74 g/mol. Its IUPAC name is 2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol
PubChem CID16663405
Molecular FormulaC31H40O3Si
Molecular Weight488.74 g/mol
Exact Mass488.27
IUPAC Name2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol
SMILESCC(C)(C)[Si](OCCCc1ccc(C2=CCCCC2CCO)o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O3Si/c1-31(2,3)35(27-15-6-4-7-16-27,28-17-8-5-9-18-28)33-24-12-14-26-20-21-30(34-26)29-19-11-10-13-25(29)22-23-32/h4-9,15-21,25,32H,10-14,22-24H2,1-3H3
InChIKeyPUROUIRFFJPQKY-UHFFFAOYSA-N
XLogP6.35
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.74
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol?
The IUPAC name of 2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol (CID 16663405) is 2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol.
What is the SMILES notation for 2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol?
The canonical SMILES for 2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol is CC(C)(C)[Si](OCCCc1ccc(C2=CCCCC2CCO)o1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol?
The InChIKey is PUROUIRFFJPQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40O3Si/c1-31(2,3)35(27-15-6-4-7-16-27,28-17-8-5-9-18-28)33-24-12-14-26-20-21-30(34-26)29-19-11-10-13-25(29)22-23-32/h4-9,15-21,25,32H,10-14,22-24H2,1-3H3.
What are the key properties of 2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol?
2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol has a molecular weight of 488.74 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]cyclohex-2-en-1-yl]ethanol is sourced from PubChem (CID 16663405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).