3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene

C14H16O — CID 139254506

IUPAC3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene
SMILESC=C[C@@H](CC)OCC#Cc1ccccc1
InChIInChI=1S/C14H16O/c1-3-14(4-2)15-12-8-11-13-9-6-5-7-10-13/h3,5-7,9-10,14H,1,4,12H2,2H3/t14-/m0/s1
InChIKeyWZUYXIJUVNXLTE-AWEZNQCLSA-N
MW200.28 g/mol
LogP3.02
Rot. Bonds4

About 3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene

3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene (PubChem CID 139254506) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene.

Molecular Properties

Compound Name3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene
PubChem CID139254506
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene
SMILESC=C[C@@H](CC)OCC#Cc1ccccc1
InChIInChI=1S/C14H16O/c1-3-14(4-2)15-12-8-11-13-9-6-5-7-10-13/h3,5-7,9-10,14H,1,4,12H2,2H3/t14-/m0/s1
InChIKeyWZUYXIJUVNXLTE-AWEZNQCLSA-N
XLogP3.02
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 ≤ 53.02
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

3-but-3-en-2-yloxyprop-1-ynylbenzene
CID 11412798
3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene
CID 102284617
3-(2-methylpropoxy)prop-1-ynylbenzene
CID 130395196
1-butan-2-yl-4-(3-phenylprop-2-ynoxy)benzene
CID 107668986
1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
CID 64765483
[5-(ethoxymethoxy)-4,4-dimethylhept-6-en-1-ynyl]benzene
CID 101073803
(3-ethoxy-5-phenylpenta-1,4-diynyl)benzene
CID 10730067
(3S,4S)-4-methyl-7-phenylhept-1-en-6-yn-3-ol
CID 141415978
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
3-phenylprop-2-ynyl 2-ethenoxyacetate
CID 20688866
4-methylpent-1-ynylbenzene
CID 12861410
1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine
CID 55060425

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene?
The IUPAC name of 3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene (CID 139254506) is 3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene.
What is the SMILES notation for 3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene?
The canonical SMILES for 3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene is C=C[C@@H](CC)OCC#Cc1ccccc1.
What is the InChIKey of 3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene?
The InChIKey is WZUYXIJUVNXLTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16O/c1-3-14(4-2)15-12-8-11-13-9-6-5-7-10-13/h3,5-7,9-10,14H,1,4,12H2,2H3/t14-/m0/s1.
What are the key properties of 3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene?
3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene has a molecular weight of 200.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene is sourced from PubChem (CID 139254506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).