5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol

C17H27ClO2Si — CID 10663923

IUPAC5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol
SMILESC=CC(O)CCc1cc(O[Si](C)(C)C(C)(C)C)ccc1Cl
InChIInChI=1S/C17H27ClO2Si/c1-7-14(19)9-8-13-12-15(10-11-16(13)18)20-21(5,6)17(2,3)4/h7,10-12,14,19H,1,8-9H2,2-6H3
InChIKeyVIVYPNSACVWBMN-UHFFFAOYSA-N
MW326.94 g/mol
LogP5.20
Rot. Bonds6

About 5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol

5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol (PubChem CID 10663923) has the molecular formula C17H27ClO2Si and a molecular weight of 326.94 g/mol. Its IUPAC name is 5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol.

Molecular Properties

Compound Name5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol
PubChem CID10663923
Molecular FormulaC17H27ClO2Si
Molecular Weight326.94 g/mol
Exact Mass326.15
IUPAC Name5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol
SMILESC=CC(O)CCc1cc(O[Si](C)(C)C(C)(C)C)ccc1Cl
InChIInChI=1S/C17H27ClO2Si/c1-7-14(19)9-8-13-12-15(10-11-16(13)18)20-21(5,6)17(2,3)4/h7,10-12,14,19H,1,8-9H2,2-6H3
InChIKeyVIVYPNSACVWBMN-UHFFFAOYSA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.94
LogP ≤ 55.20
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 5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol?
The IUPAC name of 5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol (CID 10663923) is 5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol.
What is the SMILES notation for 5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol?
The canonical SMILES for 5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol is C=CC(O)CCc1cc(O[Si](C)(C)C(C)(C)C)ccc1Cl.
What is the InChIKey of 5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol?
The InChIKey is VIVYPNSACVWBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO2Si/c1-7-14(19)9-8-13-12-15(10-11-16(13)18)20-21(5,6)17(2,3)4/h7,10-12,14,19H,1,8-9H2,2-6H3.
What are the key properties of 5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol?
5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol has a molecular weight of 326.94 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]pent-1-en-3-ol is sourced from PubChem (CID 10663923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).