(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene

C18H32O2 — CID 10564737

IUPAC(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene
SMILESCC/C=C\C/C=C\C/C=C\CC(OC(C)C)OC(C)C
InChIInChI=1S/C18H32O2/c1-6-7-8-9-10-11-12-13-14-15-18(19-16(2)3)20-17(4)5/h7-8,10-11,13-14,16-18H,6,9,12,15H2,1-5H3/b8-7-,11-10-,14-13-
InChIKeyHBDFICMUASZDSP-JPFHKJGASA-N
MW280.45 g/mol
LogP5.41
Rot. Bonds11

About (3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene

(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene (PubChem CID 10564737) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene.

Molecular Properties

Compound Name(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene
PubChem CID10564737
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene
SMILESCC/C=C\C/C=C\C/C=C\CC(OC(C)C)OC(C)C
InChIInChI=1S/C18H32O2/c1-6-7-8-9-10-11-12-13-14-15-18(19-16(2)3)20-17(4)5/h7-8,10-11,13-14,16-18H,6,9,12,15H2,1-5H3/b8-7-,11-10-,14-13-
InChIKeyHBDFICMUASZDSP-JPFHKJGASA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
CID 10879603
pentadeca-3,6,9,12-tetraene
CID 123748490
(Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol
CID 10891946
2-methyldodeca-3,6,9-triene
CID 141042273
(4Z,7Z,10Z,13Z,16Z,19Z)-2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122253
2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 91147022
2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate
CID 135224834
2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 91034555
ethyl (2R)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 91354101
1-methoxy-1-propoxyhex-3-ene
CID 141349600
1-(disulfanyl)henicosa-3,6,9,12,15,18-hexaen-1-ol
CID 123521424
(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene
CID 102155570

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene?
The IUPAC name of (3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene (CID 10564737) is (3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene.
What is the SMILES notation for (3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene?
The canonical SMILES for (3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene is CC/C=C\C/C=C\C/C=C\CC(OC(C)C)OC(C)C.
What is the InChIKey of (3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene?
The InChIKey is HBDFICMUASZDSP-JPFHKJGASA-N. The full InChI is InChI=1S/C18H32O2/c1-6-7-8-9-10-11-12-13-14-15-18(19-16(2)3)20-17(4)5/h7-8,10-11,13-14,16-18H,6,9,12,15H2,1-5H3/b8-7-,11-10-,14-13-.
What are the key properties of (3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene?
(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene has a molecular weight of 280.45 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene is sourced from PubChem (CID 10564737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).