[(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate

C15H18O3 — CID 24938472

IUPAC[(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate
SMILESCC(=O)O/C(=C\C1CCCCO1)c1ccccc1
InChIInChI=1S/C15H18O3/c1-12(16)18-15(13-7-3-2-4-8-13)11-14-9-5-6-10-17-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3/b15-11-
InChIKeyMWWHUJDOASLUKG-PTNGSMBKSA-N
MW246.31 g/mol
LogP3.16
Rot. Bonds3

About [(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate

[(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate (PubChem CID 24938472) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate.

Molecular Properties

Compound Name[(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate
PubChem CID24938472
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate
SMILESCC(=O)O/C(=C\C1CCCCO1)c1ccccc1
InChIInChI=1S/C15H18O3/c1-12(16)18-15(13-7-3-2-4-8-13)11-14-9-5-6-10-17-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3/b15-11-
InChIKeyMWWHUJDOASLUKG-PTNGSMBKSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(1Z)-1-phenylbuta-1,3-dienyl] acetate
CID 141420834
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
1-(oxan-2-yl)-1-phenylethanol
CID 102596007
N-(oxan-2-yl)benzamide
CID 3717262
CID 162308474
CID 162308474
benzoic acid;methylcyclopentane
CID 68907828
2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane
CID 132915994
[(Z)-2-(2-hydroxyethylsulfanyl)-1-phenylethenyl] acetate
CID 125477237
[(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate
CID 6211510
[(2S,3R)-2-phenacyloxan-3-yl] acetate
CID 101372581
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate?
The IUPAC name of [(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate (CID 24938472) is [(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate.
What is the SMILES notation for [(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate?
The canonical SMILES for [(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate is CC(=O)O/C(=C\C1CCCCO1)c1ccccc1.
What is the InChIKey of [(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate?
The InChIKey is MWWHUJDOASLUKG-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H18O3/c1-12(16)18-15(13-7-3-2-4-8-13)11-14-9-5-6-10-17-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3/b15-11-.
What are the key properties of [(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate?
[(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate has a molecular weight of 246.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate is sourced from PubChem (CID 24938472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).