[(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane

C19H30OSi — CID 102231022

IUPAC[(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane
SMILESCc1cccc2c1O/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C2
InChIInChI=1S/C19H30OSi/c1-13(2)21(14(3)4,15(5)6)12-18-11-17-10-8-9-16(7)19(17)20-18/h8-10,12-15H,11H2,1-7H3/b18-12-
InChIKeyBYKNHFBWNZGKII-PDGQHHTCSA-N
MW302.53 g/mol
LogP6.03
Rot. Bonds4

About [(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane

[(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane (PubChem CID 102231022) has the molecular formula C19H30OSi and a molecular weight of 302.53 g/mol. Its IUPAC name is [(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane
PubChem CID102231022
Molecular FormulaC19H30OSi
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Name[(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane
SMILESCc1cccc2c1O/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C2
InChIInChI=1S/C19H30OSi/c1-13(2)21(14(3)4,15(5)6)12-18-11-17-10-8-9-16(7)19(17)20-18/h8-10,12-15H,11H2,1-7H3/b18-12-
InChIKeyBYKNHFBWNZGKII-PDGQHHTCSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 56.03
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 [(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane (CID 102231022) is [(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane is Cc1cccc2c1O/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C2.
What is the InChIKey of [(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane?
The InChIKey is BYKNHFBWNZGKII-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H30OSi/c1-13(2)21(14(3)4,15(5)6)12-18-11-17-10-8-9-16(7)19(17)20-18/h8-10,12-15H,11H2,1-7H3/b18-12-.
What are the key properties of [(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane?
[(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane has a molecular weight of 302.53 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(7-methyl-3H-1-benzofuran-2-ylidene)methyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 102231022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).