3,4-dibutoxyhexa-2,4-diene

C14H26O2 — CID 141019728

IUPAC3,4-dibutoxyhexa-2,4-diene
SMILESCC=C(OCCCC)C(=CC)OCCCC
InChIInChI=1S/C14H26O2/c1-5-9-11-15-13(7-3)14(8-4)16-12-10-6-2/h7-8H,5-6,9-12H2,1-4H3
InChIKeyYALFCJKGTOMKBF-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.43
Rot. Bonds9

About 3,4-dibutoxyhexa-2,4-diene

3,4-dibutoxyhexa-2,4-diene (PubChem CID 141019728) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,4-dibutoxyhexa-2,4-diene.

Molecular Properties

Compound Name3,4-dibutoxyhexa-2,4-diene
PubChem CID141019728
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3,4-dibutoxyhexa-2,4-diene
SMILESCC=C(OCCCC)C(=CC)OCCCC
InChIInChI=1S/C14H26O2/c1-5-9-11-15-13(7-3)14(8-4)16-12-10-6-2/h7-8H,5-6,9-12H2,1-4H3
InChIKeyYALFCJKGTOMKBF-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-butoxy-4-methoxyhexa-2,4-diene
CID 175251370
2-butoxybut-2-enoic acid
CID 174830765
(3E,5E)-2-bromo-5-butoxy-4-methylhepta-1,3,5-triene
CID 130335445
dibutyl 2,3-di(ethylidene)butanedioate
CID 89106710
oxiran-2-ylmethyl 2-butoxybut-2-enoate
CID 174830768
3,4-diethoxyhexa-2,4-diene
CID 141009141
(E)-1-decoxyprop-1-en-1-amine
CID 88696659
(E)-1-octoxyprop-1-en-1-amine
CID 140692323
CID 57489595
CID 57489595
butyl hydrogen carbonate
CID 157271096
butyl 2-formyl-2-hydroxy-3-oxopropanoate
CID 141213420
butyl 2,2,2-tris(sulfanyl)acetate
CID 118063051

Frequently Asked Questions

What is the IUPAC name of 3,4-dibutoxyhexa-2,4-diene?
The IUPAC name of 3,4-dibutoxyhexa-2,4-diene (CID 141019728) is 3,4-dibutoxyhexa-2,4-diene.
What is the SMILES notation for 3,4-dibutoxyhexa-2,4-diene?
The canonical SMILES for 3,4-dibutoxyhexa-2,4-diene is CC=C(OCCCC)C(=CC)OCCCC.
What is the InChIKey of 3,4-dibutoxyhexa-2,4-diene?
The InChIKey is YALFCJKGTOMKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-9-11-15-13(7-3)14(8-4)16-12-10-6-2/h7-8H,5-6,9-12H2,1-4H3.
What are the key properties of 3,4-dibutoxyhexa-2,4-diene?
3,4-dibutoxyhexa-2,4-diene has a molecular weight of 226.36 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutoxyhexa-2,4-diene is sourced from PubChem (CID 141019728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).