(1E,3E)-1-methoxypenta-1,3-diene

C6H10O — CID 6440221

IUPAC(1E,3E)-1-methoxypenta-1,3-diene
SMILESC/C=C/C=C/OC
InChIInChI=1S/C6H10O/c1-3-4-5-6-7-2/h3-6H,1-2H3/b4-3+,6-5+
InChIKeyWRXBNDSCXVJMQN-VNKDHWASSA-N
MW98.14 g/mol
LogP1.72
Rot. Bonds2

About (1E,3E)-1-methoxypenta-1,3-diene

(1E,3E)-1-methoxypenta-1,3-diene (PubChem CID 6440221) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (1E,3E)-1-methoxypenta-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-methoxypenta-1,3-diene
PubChem CID6440221
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(1E,3E)-1-methoxypenta-1,3-diene
SMILESC/C=C/C=C/OC
InChIInChI=1S/C6H10O/c1-3-4-5-6-7-2/h3-6H,1-2H3/b4-3+,6-5+
InChIKeyWRXBNDSCXVJMQN-VNKDHWASSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-methoxypenta-1,3-diene?
The IUPAC name of (1E,3E)-1-methoxypenta-1,3-diene (CID 6440221) is (1E,3E)-1-methoxypenta-1,3-diene.
What is the SMILES notation for (1E,3E)-1-methoxypenta-1,3-diene?
The canonical SMILES for (1E,3E)-1-methoxypenta-1,3-diene is C/C=C/C=C/OC.
What is the InChIKey of (1E,3E)-1-methoxypenta-1,3-diene?
The InChIKey is WRXBNDSCXVJMQN-VNKDHWASSA-N. The full InChI is InChI=1S/C6H10O/c1-3-4-5-6-7-2/h3-6H,1-2H3/b4-3+,6-5+.
What are the key properties of (1E,3E)-1-methoxypenta-1,3-diene?
(1E,3E)-1-methoxypenta-1,3-diene has a molecular weight of 98.14 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-methoxypenta-1,3-diene is sourced from PubChem (CID 6440221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).