(3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane

C23H35FOSi — CID 134949786

IUPAC(3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
SMILESCCCCc1cc2cccc(F)c2cc1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H35FOSi/c1-8-9-11-20-14-19-12-10-13-22(24)21(19)15-23(20)25-26(16(2)3,17(4)5)18(6)7/h10,12-18H,8-9,11H2,1-7H3
InChIKeyHQTRBOSHSQCRMG-UHFFFAOYSA-N
MW374.62 g/mol
LogP7.88
Rot. Bonds8

About (3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane

(3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane (PubChem CID 134949786) has the molecular formula C23H35FOSi and a molecular weight of 374.62 g/mol. Its IUPAC name is (3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
PubChem CID134949786
Molecular FormulaC23H35FOSi
Molecular Weight374.62 g/mol
Exact Mass374.24
IUPAC Name(3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
SMILESCCCCc1cc2cccc(F)c2cc1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H35FOSi/c1-8-9-11-20-14-19-12-10-13-22(24)21(19)15-23(20)25-26(16(2)3,17(4)5)18(6)7/h10,12-18H,8-9,11H2,1-7H3
InChIKeyHQTRBOSHSQCRMG-UHFFFAOYSA-N
XLogP7.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.62
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane (CID 134949786) is (3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane is CCCCc1cc2cccc(F)c2cc1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is HQTRBOSHSQCRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FOSi/c1-8-9-11-20-14-19-12-10-13-22(24)21(19)15-23(20)25-26(16(2)3,17(4)5)18(6)7/h10,12-18H,8-9,11H2,1-7H3.
What are the key properties of (3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
(3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 374.62 g/mol, XLogP of 7.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134949786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).