(2E,4E)-1-prop-2-enoxyhexa-2,4-diene

C9H14O — CID 10510919

IUPAC(2E,4E)-1-prop-2-enoxyhexa-2,4-diene
SMILESC=CCOC/C=C/C=C/C
InChIInChI=1S/C9H14O/c1-3-5-6-7-9-10-8-4-2/h3-7H,2,8-9H2,1H3/b5-3+,7-6+
InChIKeyLQYHMZZAZYFBBO-TWTPFVCWSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds5

About (2E,4E)-1-prop-2-enoxyhexa-2,4-diene

(2E,4E)-1-prop-2-enoxyhexa-2,4-diene (PubChem CID 10510919) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E,4E)-1-prop-2-enoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-prop-2-enoxyhexa-2,4-diene
PubChem CID10510919
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2E,4E)-1-prop-2-enoxyhexa-2,4-diene
SMILESC=CCOC/C=C/C=C/C
InChIInChI=1S/C9H14O/c1-3-5-6-7-9-10-8-4-2/h3-7H,2,8-9H2,1H3/b5-3+,7-6+
InChIKeyLQYHMZZAZYFBBO-TWTPFVCWSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-, (E)-
CID 5364692
2-Butene, 1-methoxy-, (E)-
CID 5366216
(E)-1-[(E)-but-2-enoxy]but-2-ene
CID 14533154
Crotyl ether
CID 53823046
1,4-Diethoxy-2-butene
CID 5466558
2-Butenyl ethyl ether
CID 5358345
(3E)-5-[(2E)-penta-2,4-dienoxy]penta-1,3-diene
CID 13808145
Ethoxybut-2-ene
CID 316613
1-Methoxybut-2-ene
CID 551174
2,4-Hexadiene, 1-ethoxy
CID 5352777
(2E,4E)-1-prop-2-ynoxyhexa-2,4-diene
CID 10997091

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-prop-2-enoxyhexa-2,4-diene?
The IUPAC name of (2E,4E)-1-prop-2-enoxyhexa-2,4-diene (CID 10510919) is (2E,4E)-1-prop-2-enoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1-prop-2-enoxyhexa-2,4-diene?
The canonical SMILES for (2E,4E)-1-prop-2-enoxyhexa-2,4-diene is C=CCOC/C=C/C=C/C.
What is the InChIKey of (2E,4E)-1-prop-2-enoxyhexa-2,4-diene?
The InChIKey is LQYHMZZAZYFBBO-TWTPFVCWSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-6-7-9-10-8-4-2/h3-7H,2,8-9H2,1H3/b5-3+,7-6+.
What are the key properties of (2E,4E)-1-prop-2-enoxyhexa-2,4-diene?
(2E,4E)-1-prop-2-enoxyhexa-2,4-diene has a molecular weight of 138.21 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-prop-2-enoxyhexa-2,4-diene is sourced from PubChem (CID 10510919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).