(2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene

C14H24O2 — CID 87787384

IUPAC(2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene
SMILESCC/C=C\C/C=C\C=C\C(OCC)OCC
InChIInChI=1S/C14H24O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h7-8,10-14H,4-6,9H2,1-3H3/b8-7-,11-10-,13-12+
InChIKeyRCXRCZVXEUJNJV-YXVQMRFCSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds9

About (2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene

(2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene (PubChem CID 87787384) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene.

Molecular Properties

Compound Name(2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene
PubChem CID87787384
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene
SMILESCC/C=C\C/C=C\C=C\C(OCC)OCC
InChIInChI=1S/C14H24O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h7-8,10-14H,4-6,9H2,1-3H3/b8-7-,11-10-,13-12+
InChIKeyRCXRCZVXEUJNJV-YXVQMRFCSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
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'}, {'alert_name': 'polyene', '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
(2Z,4Z,7E)-deca-2,4,7-triene
CID 142167538
docosa-2,4,7,10,13,16,19-heptaen-1-ol
CID 74387239
2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 91034555
(E)-4-bromo-1,1-diethoxybut-2-ene
CID 14179247
(2E,7Z)-deca-2,4,7-trienal
CID 86595204
(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal
CID 87856507
(2Z,4Z,7Z)-deca-2,4,7-trienal
CID 146449298
(2E,4E,7E)-deca-2,4,7-trienal
CID 5283352
heptadeca-9,11,14-trien-8-ol
CID 165117059
(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene
CID 102331083

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene?
The IUPAC name of (2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene (CID 87787384) is (2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene.
What is the SMILES notation for (2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene?
The canonical SMILES for (2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene is CC/C=C\C/C=C\C=C\C(OCC)OCC.
What is the InChIKey of (2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene?
The InChIKey is RCXRCZVXEUJNJV-YXVQMRFCSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h7-8,10-14H,4-6,9H2,1-3H3/b8-7-,11-10-,13-12+.
What are the key properties of (2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene?
(2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene has a molecular weight of 224.34 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene is sourced from PubChem (CID 87787384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).