[2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane

C12H19ClO2Si — CID 131885413

IUPAC[2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane
SMILESCC(Cl)=C(O[Si](C)(C)C)C(C)c1ccco1
InChIInChI=1S/C12H19ClO2Si/c1-9(11-7-6-8-14-11)12(10(2)13)15-16(3,4)5/h6-9H,1-5H3
InChIKeyCREMKGJDIHRAHQ-UHFFFAOYSA-N
MW258.82 g/mol
LogP4.70
Rot. Bonds4

About [2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane

[2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane (PubChem CID 131885413) has the molecular formula C12H19ClO2Si and a molecular weight of 258.82 g/mol. Its IUPAC name is [2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane
PubChem CID131885413
Molecular FormulaC12H19ClO2Si
Molecular Weight258.82 g/mol
Exact Mass258.08
IUPAC Name[2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane
SMILESCC(Cl)=C(O[Si](C)(C)C)C(C)c1ccco1
InChIInChI=1S/C12H19ClO2Si/c1-9(11-7-6-8-14-11)12(10(2)13)15-16(3,4)5/h6-9H,1-5H3
InChIKeyCREMKGJDIHRAHQ-UHFFFAOYSA-N
XLogP4.70
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane?
The IUPAC name of [2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane (CID 131885413) is [2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane?
The canonical SMILES for [2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane is CC(Cl)=C(O[Si](C)(C)C)C(C)c1ccco1.
What is the InChIKey of [2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane?
The InChIKey is CREMKGJDIHRAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO2Si/c1-9(11-7-6-8-14-11)12(10(2)13)15-16(3,4)5/h6-9H,1-5H3.
What are the key properties of [2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane?
[2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane has a molecular weight of 258.82 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 131885413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).