(E)-13-(oxan-2-yloxy)tridec-3-enal

C18H32O3 — CID 11437929

IUPAC(E)-13-(oxan-2-yloxy)tridec-3-enal
SMILESO=CC/C=C/CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C18H32O3/c19-15-11-8-6-4-2-1-3-5-7-9-12-16-20-18-14-10-13-17-21-18/h6,8,15,18H,1-5,7,9-14,16-17H2/b8-6+
InChIKeyNUHRWOZXBNSMHF-SOFGYWHQSA-N
MW296.45 g/mol
LogP4.80
Rot. Bonds13

About (E)-13-(oxan-2-yloxy)tridec-3-enal

(E)-13-(oxan-2-yloxy)tridec-3-enal (PubChem CID 11437929) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (E)-13-(oxan-2-yloxy)tridec-3-enal.

Molecular Properties

Compound Name(E)-13-(oxan-2-yloxy)tridec-3-enal
PubChem CID11437929
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(E)-13-(oxan-2-yloxy)tridec-3-enal
SMILESO=CC/C=C/CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C18H32O3/c19-15-11-8-6-4-2-1-3-5-7-9-12-16-20-18-14-10-13-17-21-18/h6,8,15,18H,1-5,7,9-14,16-17H2/b8-6+
InChIKeyNUHRWOZXBNSMHF-SOFGYWHQSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.80
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, 2-[(7E)-7-dodecen-1-yloxy]tetrahydro-
CID 6437394
2H-Pyran, tetrahydro-2-[(9E)-9-tetradecen-1-yloxy]-
CID 6437003
2-[(9E)-9-Dodecen-1-yloxy]tetrahydro-2H-pyran
CID 14159698
(2e)-11-(Tetrahydropyran-2-yloxy)-2-undecenal
CID 10978478
2-[(9E,11E)-hexadeca-9,11-dienoxy]oxane
CID 11056382
2-[(9E,11Z)-hexadeca-9,11-dienoxy]oxane
CID 11759090
(e)-12-[(Tetrahydro-2h-pyran-2-yl)oxy]-2-dodecenal
CID 13456332
(e)-9-Tetrahydropyranyloxy-2-nonenal
CID 12963309
2-(Eicosa-5z,9z-dien-1-yloxy)tetrahydro-2h-pyran
CID 72205194
2-(Docosa-5z,9z-dien-1-yloxy)tetrahydro-2h-pyran
CID 129885915
2H-Pyran, tetrahydro-2-(9-tetradecen-1-yloxy)-
CID 103547
2H-Pyran, tetrahydro-2-((11E)-11-tetradecen-1-yloxy)-
CID 6436684

Frequently Asked Questions

What is the IUPAC name of (E)-13-(oxan-2-yloxy)tridec-3-enal?
The IUPAC name of (E)-13-(oxan-2-yloxy)tridec-3-enal (CID 11437929) is (E)-13-(oxan-2-yloxy)tridec-3-enal.
What is the SMILES notation for (E)-13-(oxan-2-yloxy)tridec-3-enal?
The canonical SMILES for (E)-13-(oxan-2-yloxy)tridec-3-enal is O=CC/C=C/CCCCCCCCCOC1CCCCO1.
What is the InChIKey of (E)-13-(oxan-2-yloxy)tridec-3-enal?
The InChIKey is NUHRWOZXBNSMHF-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H32O3/c19-15-11-8-6-4-2-1-3-5-7-9-12-16-20-18-14-10-13-17-21-18/h6,8,15,18H,1-5,7,9-14,16-17H2/b8-6+.
What are the key properties of (E)-13-(oxan-2-yloxy)tridec-3-enal?
(E)-13-(oxan-2-yloxy)tridec-3-enal has a molecular weight of 296.45 g/mol, XLogP of 4.80, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-13-(oxan-2-yloxy)tridec-3-enal is sourced from PubChem (CID 11437929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).