1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol

C17H32O3Si — CID 15599508

IUPAC1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccc(CCCO[Si](C)(C)C(C)(C)C)o1
InChIInChI=1S/C17H32O3Si/c1-13(2)16(18)15-11-10-14(20-15)9-8-12-19-21(6,7)17(3,4)5/h10-11,13,16,18H,8-9,12H2,1-7H3
InChIKeyIRXBLRQVUCGHQU-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.92
Rot. Bonds7

About 1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol

1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol (PubChem CID 15599508) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol
PubChem CID15599508
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccc(CCCO[Si](C)(C)C(C)(C)C)o1
InChIInChI=1S/C17H32O3Si/c1-13(2)16(18)15-11-10-14(20-15)9-8-12-19-21(6,7)17(3,4)5/h10-11,13,16,18H,8-9,12H2,1-7H3
InChIKeyIRXBLRQVUCGHQU-UHFFFAOYSA-N
XLogP4.92
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.92
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 1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol (CID 15599508) is 1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol is CC(C)C(O)c1ccc(CCCO[Si](C)(C)C(C)(C)C)o1.
What is the InChIKey of 1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol?
The InChIKey is IRXBLRQVUCGHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-13(2)16(18)15-11-10-14(20-15)9-8-12-19-21(6,7)17(3,4)5/h10-11,13,16,18H,8-9,12H2,1-7H3.
What are the key properties of 1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol?
1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol has a molecular weight of 312.53 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]furan-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 15599508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).