2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one

C18H26O2Si — CID 70136035

IUPAC2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one
SMILESC=C1CC=CC=C1C1CC=C(O[Si](C)(C)CCCC)C1=O
InChIInChI=1S/C18H26O2Si/c1-5-6-13-21(3,4)20-17-12-11-16(18(17)19)15-10-8-7-9-14(15)2/h7-8,10,12,16H,2,5-6,9,11,13H2,1,3-4H3
InChIKeyXDALWWOUPJZACV-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.92
Rot. Bonds6

About 2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one

2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one (PubChem CID 70136035) has the molecular formula C18H26O2Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one
PubChem CID70136035
Molecular FormulaC18H26O2Si
Molecular Weight302.49 g/mol
Exact Mass302.17
IUPAC Name2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one
SMILESC=C1CC=CC=C1C1CC=C(O[Si](C)(C)CCCC)C1=O
InChIInChI=1S/C18H26O2Si/c1-5-6-13-21(3,4)20-17-12-11-16(18(17)19)15-10-8-7-9-14(15)2/h7-8,10,12,16H,2,5-6,9,11,13H2,1,3-4H3
InChIKeyXDALWWOUPJZACV-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one (CID 70136035) is 2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one is C=C1CC=CC=C1C1CC=C(O[Si](C)(C)CCCC)C1=O.
What is the InChIKey of 2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one?
The InChIKey is XDALWWOUPJZACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2Si/c1-5-6-13-21(3,4)20-17-12-11-16(18(17)19)15-10-8-7-9-14(15)2/h7-8,10,12,16H,2,5-6,9,11,13H2,1,3-4H3.
What are the key properties of 2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one?
2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one has a molecular weight of 302.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 70136035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).