4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol

C12H16O2 — CID 11298468

IUPAC4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol
SMILESC=CC[C@@H]1C=CC[C@@H](CC#CCO)O1
InChIInChI=1S/C12H16O2/c1-2-6-11-8-5-9-12(14-11)7-3-4-10-13/h2,5,8,11-13H,1,6-7,9-10H2/t11-,12-/m1/s1
InChIKeyYOJDJLSOFMZYTF-VXGBXAGGSA-N
MW192.26 g/mol
LogP1.66
Rot. Bonds3

About 4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol

4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol (PubChem CID 11298468) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol.

Molecular Properties

Compound Name4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol
PubChem CID11298468
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol
SMILESC=CC[C@@H]1C=CC[C@@H](CC#CCO)O1
InChIInChI=1S/C12H16O2/c1-2-6-11-8-5-9-12(14-11)7-3-4-10-13/h2,5,8,11-13H,1,6-7,9-10H2/t11-,12-/m1/s1
InChIKeyYOJDJLSOFMZYTF-VXGBXAGGSA-N
XLogP1.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol?
The IUPAC name of 4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol (CID 11298468) is 4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol.
What is the SMILES notation for 4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol?
The canonical SMILES for 4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol is C=CC[C@@H]1C=CC[C@@H](CC#CCO)O1.
What is the InChIKey of 4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol?
The InChIKey is YOJDJLSOFMZYTF-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-6-11-8-5-9-12(14-11)7-3-4-10-13/h2,5,8,11-13H,1,6-7,9-10H2/t11-,12-/m1/s1.
What are the key properties of 4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol?
4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]but-2-yn-1-ol is sourced from PubChem (CID 11298468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).