(E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal

C14H22O2 — CID 134987735

IUPAC(E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal
SMILESCC[C@H]1O[C@@H](/C(C)=C/CCC=O)CC=C1C
InChIInChI=1S/C14H22O2/c1-4-13-12(3)8-9-14(16-13)11(2)7-5-6-10-15/h7-8,10,13-14H,4-6,9H2,1-3H3/b11-7+/t13-,14-/m1/s1
InChIKeyWUGOQKHVWFJZAP-VAZNYKRKSA-N
MW222.33 g/mol
LogP3.43
Rot. Bonds5

About (E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal

(E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal (PubChem CID 134987735) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal.

Molecular Properties

Compound Name(E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal
PubChem CID134987735
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal
SMILESCC[C@H]1O[C@@H](/C(C)=C/CCC=O)CC=C1C
InChIInChI=1S/C14H22O2/c1-4-13-12(3)8-9-14(16-13)11(2)7-5-6-10-15/h7-8,10,13-14H,4-6,9H2,1-3H3/b11-7+/t13-,14-/m1/s1
InChIKeyWUGOQKHVWFJZAP-VAZNYKRKSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal?
The IUPAC name of (E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal (CID 134987735) is (E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal.
What is the SMILES notation for (E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal?
The canonical SMILES for (E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal is CC[C@H]1O[C@@H](/C(C)=C/CCC=O)CC=C1C.
What is the InChIKey of (E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal?
The InChIKey is WUGOQKHVWFJZAP-VAZNYKRKSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-13-12(3)8-9-14(16-13)11(2)7-5-6-10-15/h7-8,10,13-14H,4-6,9H2,1-3H3/b11-7+/t13-,14-/m1/s1.
What are the key properties of (E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal?
(E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal has a molecular weight of 222.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal is sourced from PubChem (CID 134987735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).