5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane

C16H30O2 — CID 142233534

IUPAC5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane
SMILESC=CC1=C(C=C)OC(C=O)CC1.CC.CC.CC
InChIInChI=1S/C10H12O2.3C2H6/c1-3-8-5-6-9(7-11)12-10(8)4-2;3*1-2/h3-4,7,9H,1-2,5-6H2;3*1-2H3
InChIKeyNIUFYLGHZYAOBX-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.07
Rot. Bonds3

About 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane

5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane (PubChem CID 142233534) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane
PubChem CID142233534
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane
SMILESC=CC1=C(C=C)OC(C=O)CC1.CC.CC.CC
InChIInChI=1S/C10H12O2.3C2H6/c1-3-8-5-6-9(7-11)12-10(8)4-2;3*1-2/h3-4,7,9H,1-2,5-6H2;3*1-2H3
InChIKeyNIUFYLGHZYAOBX-UHFFFAOYSA-N
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Bis(prop-1-enyl)-3,4-dihydropyran-2-carbaldehyde
CID 57025588
2,3,4,6-Tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
CID 59118170
7,8-Dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
CID 59215282
2-(1-Cyclohexa-1,3-dien-1-ylethoxy)butanal
CID 123899341
5,6-bis(ethenyl)-4H-pyran-3-one;ethane
CID 143059986
2-[(3E)-2-cyclohexa-1,3-dien-1-ylhexa-1,3,5-trien-3-yl]oxyacetaldehyde;ethane
CID 143832927
(3E,6E)-3,6-di(ethylidene)oxane-2-carbaldehyde
CID 174791826
6-pentyl-2H-pyran-2-carbaldehyde
CID 175100110
2,3,4,6-Tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+)
CID 20627850
2-[(2E,4Z,5E)-4-ethylidenenona-2,5,8-trien-3-yl]oxypentanal
CID 142024411
5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde
CID 142233535

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane?
The IUPAC name of 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane (CID 142233534) is 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane is C=CC1=C(C=C)OC(C=O)CC1.CC.CC.CC.
What is the InChIKey of 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane?
The InChIKey is NIUFYLGHZYAOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.3C2H6/c1-3-8-5-6-9(7-11)12-10(8)4-2;3*1-2/h3-4,7,9H,1-2,5-6H2;3*1-2H3.
What are the key properties of 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane?
5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane has a molecular weight of 254.41 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane is sourced from PubChem (CID 142233534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).