(2E,4E)-1,1-diethoxyhexa-2,4-diene

C10H18O2 — CID 5369044

IUPAC(2E,4E)-1,1-diethoxyhexa-2,4-diene
SMILESC/C=C/C=C/C(OCC)OCC
InChIInChI=1S/C10H18O2/c1-4-7-8-9-10(11-5-2)12-6-3/h4,7-10H,5-6H2,1-3H3/b7-4+,9-8+
InChIKeyPDAPABBBKRHCMD-NUXDXBQRSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds6

About (2E,4E)-1,1-diethoxyhexa-2,4-diene

(2E,4E)-1,1-diethoxyhexa-2,4-diene (PubChem CID 5369044) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2E,4E)-1,1-diethoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1,1-diethoxyhexa-2,4-diene
PubChem CID5369044
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2E,4E)-1,1-diethoxyhexa-2,4-diene
SMILESC/C=C/C=C/C(OCC)OCC
InChIInChI=1S/C10H18O2/c1-4-7-8-9-10(11-5-2)12-6-3/h4,7-10H,5-6H2,1-3H3/b7-4+,9-8+
InChIKeyPDAPABBBKRHCMD-NUXDXBQRSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1,1-diethoxyhexa-2,4-diene?
The IUPAC name of (2E,4E)-1,1-diethoxyhexa-2,4-diene (CID 5369044) is (2E,4E)-1,1-diethoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1,1-diethoxyhexa-2,4-diene?
The canonical SMILES for (2E,4E)-1,1-diethoxyhexa-2,4-diene is C/C=C/C=C/C(OCC)OCC.
What is the InChIKey of (2E,4E)-1,1-diethoxyhexa-2,4-diene?
The InChIKey is PDAPABBBKRHCMD-NUXDXBQRSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-7-8-9-10(11-5-2)12-6-3/h4,7-10H,5-6H2,1-3H3/b7-4+,9-8+.
What are the key properties of (2E,4E)-1,1-diethoxyhexa-2,4-diene?
(2E,4E)-1,1-diethoxyhexa-2,4-diene has a molecular weight of 170.25 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1,1-diethoxyhexa-2,4-diene is sourced from PubChem (CID 5369044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).