(1Z)-1-ethoxy-5-methylhexa-1,4-diene

C9H16O — CID 11434998

IUPAC(1Z)-1-ethoxy-5-methylhexa-1,4-diene
SMILESCCO/C=C\CC=C(C)C
InChIInChI=1S/C9H16O/c1-4-10-8-6-5-7-9(2)3/h6-8H,4-5H2,1-3H3/b8-6-
InChIKeyJHRVJDBJEVNBDN-VURMDHGXSA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds4

About (1Z)-1-ethoxy-5-methylhexa-1,4-diene

(1Z)-1-ethoxy-5-methylhexa-1,4-diene (PubChem CID 11434998) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1Z)-1-ethoxy-5-methylhexa-1,4-diene.

Molecular Properties

Compound Name(1Z)-1-ethoxy-5-methylhexa-1,4-diene
PubChem CID11434998
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1Z)-1-ethoxy-5-methylhexa-1,4-diene
SMILESCCO/C=C\CC=C(C)C
InChIInChI=1S/C9H16O/c1-4-10-8-6-5-7-9(2)3/h6-8H,4-5H2,1-3H3/b8-6-
InChIKeyJHRVJDBJEVNBDN-VURMDHGXSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-ethoxy-5-methylhexa-1,4-diene?
The IUPAC name of (1Z)-1-ethoxy-5-methylhexa-1,4-diene (CID 11434998) is (1Z)-1-ethoxy-5-methylhexa-1,4-diene.
What is the SMILES notation for (1Z)-1-ethoxy-5-methylhexa-1,4-diene?
The canonical SMILES for (1Z)-1-ethoxy-5-methylhexa-1,4-diene is CCO/C=C\CC=C(C)C.
What is the InChIKey of (1Z)-1-ethoxy-5-methylhexa-1,4-diene?
The InChIKey is JHRVJDBJEVNBDN-VURMDHGXSA-N. The full InChI is InChI=1S/C9H16O/c1-4-10-8-6-5-7-9(2)3/h6-8H,4-5H2,1-3H3/b8-6-.
What are the key properties of (1Z)-1-ethoxy-5-methylhexa-1,4-diene?
(1Z)-1-ethoxy-5-methylhexa-1,4-diene has a molecular weight of 140.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-ethoxy-5-methylhexa-1,4-diene is sourced from PubChem (CID 11434998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).