2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol

C21H36O3Si — CID 169088344

IUPAC2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol
SMILESCC(C)[Si](OC1CC(O)C(OCc2ccccc2)C1)(C(C)C)C(C)C
InChIInChI=1S/C21H36O3Si/c1-15(2)25(16(3)4,17(5)6)24-19-12-20(22)21(13-19)23-14-18-10-8-7-9-11-18/h7-11,15-17,19-22H,12-14H2,1-6H3
InChIKeyFAGHPOYYQULQCL-UHFFFAOYSA-N
MW364.60 g/mol
LogP5.29
Rot. Bonds8

About 2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol

2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol (PubChem CID 169088344) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is 2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol.

Molecular Properties

Compound Name2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol
PubChem CID169088344
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Name2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol
SMILESCC(C)[Si](OC1CC(O)C(OCc2ccccc2)C1)(C(C)C)C(C)C
InChIInChI=1S/C21H36O3Si/c1-15(2)25(16(3)4,17(5)6)24-19-12-20(22)21(13-19)23-14-18-10-8-7-9-11-18/h7-11,15-17,19-22H,12-14H2,1-6H3
InChIKeyFAGHPOYYQULQCL-UHFFFAOYSA-N
XLogP5.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol?
The IUPAC name of 2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol (CID 169088344) is 2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol.
What is the SMILES notation for 2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol?
The canonical SMILES for 2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol is CC(C)[Si](OC1CC(O)C(OCc2ccccc2)C1)(C(C)C)C(C)C.
What is the InChIKey of 2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol?
The InChIKey is FAGHPOYYQULQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-15(2)25(16(3)4,17(5)6)24-19-12-20(22)21(13-19)23-14-18-10-8-7-9-11-18/h7-11,15-17,19-22H,12-14H2,1-6H3.
What are the key properties of 2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol?
2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol has a molecular weight of 364.60 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol is sourced from PubChem (CID 169088344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).