(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one

C19H34O2Si — CID 59103627

IUPAC(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one
SMILESCCCCCCC/C=C1/C(=O)C=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O2Si/c1-7-8-9-10-11-12-13-16-17(20)14-15-18(16)21-22(5,6)19(2,3)4/h13-15,18H,7-12H2,1-6H3/b16-13-
InChIKeyYJERJJNEOWXCPK-SSZFMOIBSA-N
MW322.57 g/mol
LogP5.80
Rot. Bonds8

About (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one

(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one (PubChem CID 59103627) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one
PubChem CID59103627
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one
SMILESCCCCCCC/C=C1/C(=O)C=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O2Si/c1-7-8-9-10-11-12-13-16-17(20)14-15-18(16)21-22(5,6)19(2,3)4/h13-15,18H,7-12H2,1-6H3/b16-13-
InChIKeyYJERJJNEOWXCPK-SSZFMOIBSA-N
XLogP5.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one?
The IUPAC name of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one (CID 59103627) is (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one.
What is the SMILES notation for (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one?
The canonical SMILES for (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one is CCCCCCC/C=C1/C(=O)C=CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one?
The InChIKey is YJERJJNEOWXCPK-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-7-8-9-10-11-12-13-16-17(20)14-15-18(16)21-22(5,6)19(2,3)4/h13-15,18H,7-12H2,1-6H3/b16-13-.
What are the key properties of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one?
(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one has a molecular weight of 322.57 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one is sourced from PubChem (CID 59103627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).