[(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane

C14H25IOSi — CID 88793788

IUPAC[(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane
SMILESC/C=C\CC1(C(/C=C/I)O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H25IOSi/c1-5-6-9-14(10-7-11-14)13(8-12-15)16-17(2,3)4/h5-6,8,12-13H,7,9-11H2,1-4H3/b6-5-,12-8+
InChIKeyOKBMMDNRTCPKHF-ZBKAMDABSA-N
MW364.34 g/mol
LogP5.29
Rot. Bonds6

About [(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane

[(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane (PubChem CID 88793788) has the molecular formula C14H25IOSi and a molecular weight of 364.34 g/mol. Its IUPAC name is [(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane
PubChem CID88793788
Molecular FormulaC14H25IOSi
Molecular Weight364.34 g/mol
Exact Mass364.07
IUPAC Name[(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane
SMILESC/C=C\CC1(C(/C=C/I)O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H25IOSi/c1-5-6-9-14(10-7-11-14)13(8-12-15)16-17(2,3)4/h5-6,8,12-13H,7,9-11H2,1-4H3/b6-5-,12-8+
InChIKeyOKBMMDNRTCPKHF-ZBKAMDABSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.34
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane?
The IUPAC name of [(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane (CID 88793788) is [(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane is C/C=C\CC1(C(/C=C/I)O[Si](C)(C)C)CCC1.
What is the InChIKey of [(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane?
The InChIKey is OKBMMDNRTCPKHF-ZBKAMDABSA-N. The full InChI is InChI=1S/C14H25IOSi/c1-5-6-9-14(10-7-11-14)13(8-12-15)16-17(2,3)4/h5-6,8,12-13H,7,9-11H2,1-4H3/b6-5-,12-8+.
What are the key properties of [(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane?
[(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane has a molecular weight of 364.34 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[1-[(Z)-but-2-enyl]cyclobutyl]-3-iodoprop-2-enoxy]-trimethylsilane is sourced from PubChem (CID 88793788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).