(E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal

C11H18O3 — CID 15472805

IUPAC(E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal
SMILESC/C(C=O)=C\CCOC1CCCCO1
InChIInChI=1S/C11H18O3/c1-10(9-12)5-4-8-14-11-6-2-3-7-13-11/h5,9,11H,2-4,6-8H2,1H3/b10-5+
InChIKeyLALASKPBRITNGI-BJMVGYQFSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds5

About (E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal

(E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal (PubChem CID 15472805) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal.

Molecular Properties

Compound Name(E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal
PubChem CID15472805
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal
SMILESC/C(C=O)=C\CCOC1CCCCO1
InChIInChI=1S/C11H18O3/c1-10(9-12)5-4-8-14-11-6-2-3-7-13-11/h5,9,11H,2-4,6-8H2,1H3/b10-5+
InChIKeyLALASKPBRITNGI-BJMVGYQFSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(e)-7-Tetrahydropyranyloxy-2-heptenal
CID 14679963
(E)-5,5-diethoxy-2-methylpent-2-enal
CID 15374332
2,6-Octadienal, 2,6-dimethyl-8-(tetrahydro-2H-2-pyranyloxy)
CID 5367953
(E)-6-(oxan-2-yloxy)hex-2-enal
CID 13596676
6-[(Oxan-2-yl)oxy]hex-2-enal
CID 53823922
(E,4S)-4-methyl-5-(oxan-2-yloxy)pent-2-enal
CID 11183221
(Z)-6-(oxan-2-yloxy)hex-2-enal
CID 13596677
2,6-Dimethyl-8-(oxan-2-yloxy)octa-2,6-dienal
CID 559161
(Z)-3-methyl-6-(oxan-2-yloxy)hex-3-enal
CID 14805455
7-[(Oxan-2-yl)oxy]hept-2-enal
CID 54196488
3-Methyl-6-(oxan-2-yloxy)hex-3-enal
CID 57292790
5-(Oxan-2-yloxy)pent-2-enal
CID 85557822

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal?
The IUPAC name of (E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal (CID 15472805) is (E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal.
What is the SMILES notation for (E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal?
The canonical SMILES for (E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal is C/C(C=O)=C\CCOC1CCCCO1.
What is the InChIKey of (E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal?
The InChIKey is LALASKPBRITNGI-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(9-12)5-4-8-14-11-6-2-3-7-13-11/h5,9,11H,2-4,6-8H2,1H3/b10-5+.
What are the key properties of (E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal?
(E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal has a molecular weight of 198.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-5-(oxan-2-yloxy)pent-2-enal is sourced from PubChem (CID 15472805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).