(2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone

C15H16O2 — CID 132961454

IUPAC(2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone
SMILESC=CC1(C)CO/C(=C\C(=O)c2ccccc2)C1
InChIInChI=1S/C15H16O2/c1-3-15(2)10-13(17-11-15)9-14(16)12-7-5-4-6-8-12/h3-9H,1,10-11H2,2H3/b13-9-
InChIKeyFNIGYZTZISLSNU-LCYFTJDESA-N
MW228.29 g/mol
LogP3.37
Rot. Bonds3

About (2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone

(2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone (PubChem CID 132961454) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone
PubChem CID132961454
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone
SMILESC=CC1(C)CO/C(=C\C(=O)c2ccccc2)C1
InChIInChI=1S/C15H16O2/c1-3-15(2)10-13(17-11-15)9-14(16)12-7-5-4-6-8-12/h3-9H,1,10-11H2,2H3/b13-9-
InChIKeyFNIGYZTZISLSNU-LCYFTJDESA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone
CID 10932882
(2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone
CID 5369807
methanamine;1-phenylprop-2-en-1-one
CID 91395058
(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone
CID 177476304
1-phenyl-2-(3,3,5-trimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone
CID 69215318
(E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one
CID 18316782
N-methylmethanamine;2-oxo-2-phenylacetaldehyde
CID 174528822
2-(5-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone
CID 69214512
(E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione
CID 15350552
(2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone
CID 53384058
2-(4,5-dimethyldithiol-3-ylidene)-1-phenylethanone
CID 619119
2-(7-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone
CID 69209323

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone?
The IUPAC name of (2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone (CID 132961454) is (2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone.
What is the SMILES notation for (2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone?
The canonical SMILES for (2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone is C=CC1(C)CO/C(=C\C(=O)c2ccccc2)C1.
What is the InChIKey of (2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone?
The InChIKey is FNIGYZTZISLSNU-LCYFTJDESA-N. The full InChI is InChI=1S/C15H16O2/c1-3-15(2)10-13(17-11-15)9-14(16)12-7-5-4-6-8-12/h3-9H,1,10-11H2,2H3/b13-9-.
What are the key properties of (2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone?
(2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone has a molecular weight of 228.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone is sourced from PubChem (CID 132961454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).