1-nona-1,3-dienoxynona-1,3-diene

C18H30O — CID 57138043

IUPAC1-nona-1,3-dienoxynona-1,3-diene
SMILESCCCCCC=CC=COC=CC=CCCCCC
InChIInChI=1S/C18H30O/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11-18H,3-10H2,1-2H3
InChIKeyYEMVURWYKVKURV-UHFFFAOYSA-N
MW262.44 g/mol
LogP6.30
Rot. Bonds12

About 1-nona-1,3-dienoxynona-1,3-diene

1-nona-1,3-dienoxynona-1,3-diene (PubChem CID 57138043) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-nona-1,3-dienoxynona-1,3-diene.

Molecular Properties

Compound Name1-nona-1,3-dienoxynona-1,3-diene
PubChem CID57138043
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-nona-1,3-dienoxynona-1,3-diene
SMILESCCCCCC=CC=COC=CC=CCCCCC
InChIInChI=1S/C18H30O/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11-18H,3-10H2,1-2H3
InChIKeyYEMVURWYKVKURV-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 141161901
(22E)-heptatetraconta-22,24-diene
CID 56629131
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(6E)-octadeca-4,6-diene
CID 173243345
pentadeca-3,5,7,9-tetraene
CID 151958393
triethyl(nona-1,3-dienoxy)silane
CID 160869571
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(5E,7E)-trideca-5,7-dien-1-ol
CID 10943429

Frequently Asked Questions

What is the IUPAC name of 1-nona-1,3-dienoxynona-1,3-diene?
The IUPAC name of 1-nona-1,3-dienoxynona-1,3-diene (CID 57138043) is 1-nona-1,3-dienoxynona-1,3-diene.
What is the SMILES notation for 1-nona-1,3-dienoxynona-1,3-diene?
The canonical SMILES for 1-nona-1,3-dienoxynona-1,3-diene is CCCCCC=CC=COC=CC=CCCCCC.
What is the InChIKey of 1-nona-1,3-dienoxynona-1,3-diene?
The InChIKey is YEMVURWYKVKURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11-18H,3-10H2,1-2H3.
What are the key properties of 1-nona-1,3-dienoxynona-1,3-diene?
1-nona-1,3-dienoxynona-1,3-diene has a molecular weight of 262.44 g/mol, XLogP of 6.30, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nona-1,3-dienoxynona-1,3-diene is sourced from PubChem (CID 57138043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).