(2Z,5Z)-4-but-3-enoxyhepta-2,5-diene

C11H18O — CID 11309730

IUPAC(2Z,5Z)-4-but-3-enoxyhepta-2,5-diene
SMILESC=CCCOC(/C=C\C)/C=C\C
InChIInChI=1S/C11H18O/c1-4-7-10-12-11(8-5-2)9-6-3/h4-6,8-9,11H,1,7,10H2,2-3H3/b8-5-,9-6-
InChIKeyMEJCUARGNWZSKW-VVRUXRSYSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds6

About (2Z,5Z)-4-but-3-enoxyhepta-2,5-diene

(2Z,5Z)-4-but-3-enoxyhepta-2,5-diene (PubChem CID 11309730) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2Z,5Z)-4-but-3-enoxyhepta-2,5-diene.

Molecular Properties

Compound Name(2Z,5Z)-4-but-3-enoxyhepta-2,5-diene
PubChem CID11309730
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2Z,5Z)-4-but-3-enoxyhepta-2,5-diene
SMILESC=CCCOC(/C=C\C)/C=C\C
InChIInChI=1S/C11H18O/c1-4-7-10-12-11(8-5-2)9-6-3/h4-6,8-9,11H,1,7,10H2,2-3H3/b8-5-,9-6-
InChIKeyMEJCUARGNWZSKW-VVRUXRSYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-4-but-3-enoxyhepta-2,5-diene?
The IUPAC name of (2Z,5Z)-4-but-3-enoxyhepta-2,5-diene (CID 11309730) is (2Z,5Z)-4-but-3-enoxyhepta-2,5-diene.
What is the SMILES notation for (2Z,5Z)-4-but-3-enoxyhepta-2,5-diene?
The canonical SMILES for (2Z,5Z)-4-but-3-enoxyhepta-2,5-diene is C=CCCOC(/C=C\C)/C=C\C.
What is the InChIKey of (2Z,5Z)-4-but-3-enoxyhepta-2,5-diene?
The InChIKey is MEJCUARGNWZSKW-VVRUXRSYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-7-10-12-11(8-5-2)9-6-3/h4-6,8-9,11H,1,7,10H2,2-3H3/b8-5-,9-6-.
What are the key properties of (2Z,5Z)-4-but-3-enoxyhepta-2,5-diene?
(2Z,5Z)-4-but-3-enoxyhepta-2,5-diene has a molecular weight of 166.26 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-4-but-3-enoxyhepta-2,5-diene is sourced from PubChem (CID 11309730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).