2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one

C18H26O2Si — CID 154341499

IUPAC2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one
SMILESCCCCC1=CCC(C2C=CC=CC2=CO[SiH](C)C)C1=O
InChIInChI=1S/C18H26O2Si/c1-4-5-8-14-11-12-17(18(14)19)16-10-7-6-9-15(16)13-20-21(2)3/h6-7,9-11,13,16-17,21H,4-5,8,12H2,1-3H3
InChIKeySNSYABDTLQGMHH-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.32
Rot. Bonds6

About 2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one

2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one (PubChem CID 154341499) has the molecular formula C18H26O2Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one
PubChem CID154341499
Molecular FormulaC18H26O2Si
Molecular Weight302.49 g/mol
Exact Mass302.17
IUPAC Name2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one
SMILESCCCCC1=CCC(C2C=CC=CC2=CO[SiH](C)C)C1=O
InChIInChI=1S/C18H26O2Si/c1-4-5-8-14-11-12-17(18(14)19)16-10-7-6-9-15(16)13-20-21(2)3/h6-7,9-11,13,16-17,21H,4-5,8,12H2,1-3H3
InChIKeySNSYABDTLQGMHH-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.32
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-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one?
The IUPAC name of 2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one (CID 154341499) is 2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one?
The canonical SMILES for 2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one is CCCCC1=CCC(C2C=CC=CC2=CO[SiH](C)C)C1=O.
What is the InChIKey of 2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one?
The InChIKey is SNSYABDTLQGMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2Si/c1-4-5-8-14-11-12-17(18(14)19)16-10-7-6-9-15(16)13-20-21(2)3/h6-7,9-11,13,16-17,21H,4-5,8,12H2,1-3H3.
What are the key properties of 2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one?
2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one has a molecular weight of 302.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[6-(dimethylsilyloxymethylidene)cyclohexa-2,4-dien-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 154341499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).