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

C10H18O — CID 102520027

IUPAC(2E,4E)-1-butoxyhexa-2,4-diene
SMILESC/C=C/C=C/COCCCC
InChIInChI=1S/C10H18O/c1-3-5-7-8-10-11-9-6-4-2/h3,5,7-8H,4,6,9-10H2,1-2H3/b5-3+,8-7+
InChIKeyIRNLVBHXKCZLEA-VSAQMIDASA-N
MW154.25 g/mol
LogP2.94
Rot. Bonds6

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

(2E,4E)-1-butoxyhexa-2,4-diene (PubChem CID 102520027) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2E,4E)-1-butoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-butoxyhexa-2,4-diene
PubChem CID102520027
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2E,4E)-1-butoxyhexa-2,4-diene
SMILESC/C=C/C=C/COCCCC
InChIInChI=1S/C10H18O/c1-3-5-7-8-10-11-9-6-4-2/h3,5,7-8H,4,6,9-10H2,1-2H3/b5-3+,8-7+
InChIKeyIRNLVBHXKCZLEA-VSAQMIDASA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,4-Hexadiene, 1-ethoxy-
CID 529316
2-Butene, 1-butoxy-3-methyl-
CID 551194
Pentane, 1-(2-butenyloxy)-, (E)-
CID 5364567
2-Butene, 1-butoxy-, (E)-
CID 5364692
(E)-1-[(E)-but-2-enoxy]but-2-ene
CID 14533154
Crotyl ether
CID 53823046
1,4-Diethoxy-2-butene
CID 5466558
(2E,4E)-1-prop-2-enoxyhexa-2,4-diene
CID 10510919
(3E)-5-[(2E)-penta-2,4-dienoxy]penta-1,3-diene
CID 13808145
2,4-Hexadiene, 1-ethoxy
CID 5352777
(2E,4E)-1-prop-2-ynoxyhexa-2,4-diene
CID 10997091
2-Butene, 1,4-dibutoxy-, (E)-
CID 10998037

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-butoxyhexa-2,4-diene?
The IUPAC name of (2E,4E)-1-butoxyhexa-2,4-diene (CID 102520027) is (2E,4E)-1-butoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1-butoxyhexa-2,4-diene?
The canonical SMILES for (2E,4E)-1-butoxyhexa-2,4-diene is C/C=C/C=C/COCCCC.
What is the InChIKey of (2E,4E)-1-butoxyhexa-2,4-diene?
The InChIKey is IRNLVBHXKCZLEA-VSAQMIDASA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-7-8-10-11-9-6-4-2/h3,5,7-8H,4,6,9-10H2,1-2H3/b5-3+,8-7+.
What are the key properties of (2E,4E)-1-butoxyhexa-2,4-diene?
(2E,4E)-1-butoxyhexa-2,4-diene has a molecular weight of 154.25 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-butoxyhexa-2,4-diene is sourced from PubChem (CID 102520027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).