2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane

C16H22O2 — CID 102591373

IUPAC2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane
SMILESC/C(=C\Cc1ccccc1)CCC1OCCCO1
InChIInChI=1S/C16H22O2/c1-14(8-10-15-6-3-2-4-7-15)9-11-16-17-12-5-13-18-16/h2-4,6-8,16H,5,9-13H2,1H3/b14-8+
InChIKeyFCYARCSXITXNQN-RIYZIHGNSA-N
MW246.35 g/mol
LogP3.72
Rot. Bonds5

About 2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane

2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane (PubChem CID 102591373) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane
PubChem CID102591373
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane
SMILESC/C(=C\Cc1ccccc1)CCC1OCCCO1
InChIInChI=1S/C16H22O2/c1-14(8-10-15-6-3-2-4-7-15)9-11-16-17-12-5-13-18-16/h2-4,6-8,16H,5,9-13H2,1H3/b14-8+
InChIKeyFCYARCSXITXNQN-RIYZIHGNSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one
CID 102370086
[(E)-3-methyloct-2-enyl]benzene
CID 12622229
3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
CID 2758705
2-(3-methyl-5-phenylpentyl)-1,3-dioxolane
CID 102458145
3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene
CID 141019817
actinium;(Z)-4-phenylbut-2-en-2-ol
CID 22892787
2-[(E)-6-(1,3-dioxolan-2-yl)-3-methylhex-2-enyl]isoindole-1,3-dione
CID 10543352
1-(1,3-dioxolan-2-yl)-7-phenylheptan-3-one
CID 163679114
2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane
CID 169171933
[(Z)-3-iodobut-2-enyl]benzene
CID 166908870
[(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane
CID 138972612
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane?
The IUPAC name of 2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane (CID 102591373) is 2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane.
What is the SMILES notation for 2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane?
The canonical SMILES for 2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane is C/C(=C\Cc1ccccc1)CCC1OCCCO1.
What is the InChIKey of 2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane?
The InChIKey is FCYARCSXITXNQN-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H22O2/c1-14(8-10-15-6-3-2-4-7-15)9-11-16-17-12-5-13-18-16/h2-4,6-8,16H,5,9-13H2,1H3/b14-8+.
What are the key properties of 2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane?
2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane has a molecular weight of 246.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane is sourced from PubChem (CID 102591373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).