2-prop-2-enoxypent-3-yn-2-ylbenzene

C14H16O — CID 11321595

IUPAC2-prop-2-enoxypent-3-yn-2-ylbenzene
SMILESC=CCOC(C)(C#CC)c1ccccc1
InChIInChI=1S/C14H16O/c1-4-11-14(3,15-12-5-2)13-9-7-6-8-10-13/h5-10H,2,12H2,1,3H3
InChIKeyDQHGYEGQNLPIKY-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.13
Rot. Bonds4

About 2-prop-2-enoxypent-3-yn-2-ylbenzene

2-prop-2-enoxypent-3-yn-2-ylbenzene (PubChem CID 11321595) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-prop-2-enoxypent-3-yn-2-ylbenzene.

Molecular Properties

Compound Name2-prop-2-enoxypent-3-yn-2-ylbenzene
PubChem CID11321595
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-prop-2-enoxypent-3-yn-2-ylbenzene
SMILESC=CCOC(C)(C#CC)c1ccccc1
InChIInChI=1S/C14H16O/c1-4-11-14(3,15-12-5-2)13-9-7-6-8-10-13/h5-10H,2,12H2,1,3H3
InChIKeyDQHGYEGQNLPIKY-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-deuterio-2-(3-deuterioprop-2-enoxy)but-3-yn-2-yl]benzene
CID 101384461
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
2-phenyl-2-phenylmethoxypropanenitrile
CID 162364617
(2R)-2-phenyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079972
2-methyl-2-phenylpent-3-yn-1-ol
CID 100928293
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
CID 101079976
(2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane
CID 155206785
1,1-diphenylbut-2-yn-1-ol
CID 569279
[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene
CID 124584766
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952
(2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene
CID 11000538

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxypent-3-yn-2-ylbenzene?
The IUPAC name of 2-prop-2-enoxypent-3-yn-2-ylbenzene (CID 11321595) is 2-prop-2-enoxypent-3-yn-2-ylbenzene.
What is the SMILES notation for 2-prop-2-enoxypent-3-yn-2-ylbenzene?
The canonical SMILES for 2-prop-2-enoxypent-3-yn-2-ylbenzene is C=CCOC(C)(C#CC)c1ccccc1.
What is the InChIKey of 2-prop-2-enoxypent-3-yn-2-ylbenzene?
The InChIKey is DQHGYEGQNLPIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-4-11-14(3,15-12-5-2)13-9-7-6-8-10-13/h5-10H,2,12H2,1,3H3.
What are the key properties of 2-prop-2-enoxypent-3-yn-2-ylbenzene?
2-prop-2-enoxypent-3-yn-2-ylbenzene has a molecular weight of 200.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxypent-3-yn-2-ylbenzene is sourced from PubChem (CID 11321595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).