7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol

C20H36O3Si — CID 54283785

IUPAC7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol
SMILESCCC(O)(CC)CCC=Cc1ccc(CO[Si](C)(C)C(C)(C)C)o1
InChIInChI=1S/C20H36O3Si/c1-8-20(21,9-2)15-11-10-12-17-13-14-18(23-17)16-22-24(6,7)19(3,4)5/h10,12-14,21H,8-9,11,15-16H2,1-7H3
InChIKeyRSQVLARSJAGHBT-UHFFFAOYSA-N
MW352.59 g/mol
LogP6.15
Rot. Bonds9

About 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol

7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol (PubChem CID 54283785) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol.

Molecular Properties

Compound Name7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol
PubChem CID54283785
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol
SMILESCCC(O)(CC)CCC=Cc1ccc(CO[Si](C)(C)C(C)(C)C)o1
InChIInChI=1S/C20H36O3Si/c1-8-20(21,9-2)15-11-10-12-17-13-14-18(23-17)16-22-24(6,7)19(3,4)5/h10,12-14,21H,8-9,11,15-16H2,1-7H3
InChIKeyRSQVLARSJAGHBT-UHFFFAOYSA-N
XLogP6.15
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 56.15
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 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol?
The IUPAC name of 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol (CID 54283785) is 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol.
What is the SMILES notation for 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol?
The canonical SMILES for 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol is CCC(O)(CC)CCC=Cc1ccc(CO[Si](C)(C)C(C)(C)C)o1.
What is the InChIKey of 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol?
The InChIKey is RSQVLARSJAGHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-8-20(21,9-2)15-11-10-12-17-13-14-18(23-17)16-22-24(6,7)19(3,4)5/h10,12-14,21H,8-9,11,15-16H2,1-7H3.
What are the key properties of 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol?
7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol has a molecular weight of 352.59 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-ethylhept-6-en-3-ol is sourced from PubChem (CID 54283785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).