(4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one

C18H34OSi2 — CID 15542563

IUPAC(4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one
SMILESCCCCCC/C=C1\CC(=O)C([Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C18H34OSi2/c1-8-9-10-11-12-13-15-14-16(19)18(21(5,6)7)17(15)20(2,3)4/h13H,8-12,14H2,1-7H3/b15-13+
InChIKeyGJNWVUKQLPAQST-FYWRMAATSA-N
MW322.64 g/mol
LogP5.91
Rot. Bonds7

About (4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one

(4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one (PubChem CID 15542563) has the molecular formula C18H34OSi2 and a molecular weight of 322.64 g/mol. Its IUPAC name is (4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one
PubChem CID15542563
Molecular FormulaC18H34OSi2
Molecular Weight322.64 g/mol
Exact Mass322.21
IUPAC Name(4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one
SMILESCCCCCC/C=C1\CC(=O)C([Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C18H34OSi2/c1-8-9-10-11-12-13-15-14-16(19)18(21(5,6)7)17(15)20(2,3)4/h13H,8-12,14H2,1-7H3/b15-13+
InChIKeyGJNWVUKQLPAQST-FYWRMAATSA-N
XLogP5.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.64
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one?
The IUPAC name of (4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one (CID 15542563) is (4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one?
The canonical SMILES for (4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one is CCCCCC/C=C1\CC(=O)C([Si](C)(C)C)=C1[Si](C)(C)C.
What is the InChIKey of (4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one?
The InChIKey is GJNWVUKQLPAQST-FYWRMAATSA-N. The full InChI is InChI=1S/C18H34OSi2/c1-8-9-10-11-12-13-15-14-16(19)18(21(5,6)7)17(15)20(2,3)4/h13H,8-12,14H2,1-7H3/b15-13+.
What are the key properties of (4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one?
(4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one has a molecular weight of 322.64 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one is sourced from PubChem (CID 15542563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).