(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene

C16H28O2 — CID 10879603

IUPAC(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
SMILESCC/C=C\C/C=C\C/C=C\CC(OCC)OCC
InChIInChI=1S/C16H28O2/c1-4-7-8-9-10-11-12-13-14-15-16(17-5-2)18-6-3/h7-8,10-11,13-14,16H,4-6,9,12,15H2,1-3H3/b8-7-,11-10-,14-13-
InChIKeyMIHKEQKPHWUARJ-JPFHKJGASA-N
MW252.40 g/mol
LogP4.63
Rot. Bonds11

About (3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene

(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene (PubChem CID 10879603) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene.

Molecular Properties

Compound Name(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
PubChem CID10879603
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
SMILESCC/C=C\C/C=C\C/C=C\CC(OCC)OCC
InChIInChI=1S/C16H28O2/c1-4-7-8-9-10-11-12-13-14-15-16(17-5-2)18-6-3/h7-8,10-11,13-14,16H,4-6,9,12,15H2,1-3H3/b8-7-,11-10-,14-13-
InChIKeyMIHKEQKPHWUARJ-JPFHKJGASA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.63
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-di(propan-2-yloxy)dodeca-3,6,9-triene
CID 10564737
2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 91034555
(E)-5,5-diethoxypent-2-en-1-ol
CID 12533995
pentadeca-3,6,9,12-tetraene
CID 123748490
ethyl (6Z,9Z)-12,12-diethoxydodeca-6,9-dienoate
CID 142071434
(2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene
CID 87787384
1,3-dihydroxypropan-2-yl (4E,7E,10E,13E,16E,19E)-2-ethoxydocosa-4,7,10,13,16,19-hexaenoate
CID 87472677
ethyl (2R)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 91354101
tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
CID 10574786
1-methoxy-1-propoxyhex-3-ene
CID 141349600
N-(4,4-diethoxybut-1-enylsilyl)-N-methylmethanamine
CID 154083260
[3-(2,2-diethoxyethyl)oxiran-2-yl]methanol;(E)-5,5-diethoxypent-2-en-1-ol
CID 158250745

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene?
The IUPAC name of (3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene (CID 10879603) is (3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene.
What is the SMILES notation for (3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene?
The canonical SMILES for (3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene is CC/C=C\C/C=C\C/C=C\CC(OCC)OCC.
What is the InChIKey of (3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene?
The InChIKey is MIHKEQKPHWUARJ-JPFHKJGASA-N. The full InChI is InChI=1S/C16H28O2/c1-4-7-8-9-10-11-12-13-14-15-16(17-5-2)18-6-3/h7-8,10-11,13-14,16H,4-6,9,12,15H2,1-3H3/b8-7-,11-10-,14-13-.
What are the key properties of (3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene?
(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene has a molecular weight of 252.40 g/mol, XLogP of 4.63, 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-diethoxydodeca-3,6,9-triene is sourced from PubChem (CID 10879603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).