(2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene

C10H14O — CID 102272970

IUPAC(2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene
SMILESC#CCOC/C=C/C(C)=C/C
InChIInChI=1S/C10H14O/c1-4-8-11-9-6-7-10(3)5-2/h1,5-7H,8-9H2,2-3H3/b7-6+,10-5+
InChIKeyIFLNGYDOPSWCAP-XYLIHAQWSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds4

About (2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene

(2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene (PubChem CID 102272970) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene
PubChem CID102272970
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene
SMILESC#CCOC/C=C/C(C)=C/C
InChIInChI=1S/C10H14O/c1-4-8-11-9-6-7-10(3)5-2/h1,5-7H,8-9H2,2-3H3/b7-6+,10-5+
InChIKeyIFLNGYDOPSWCAP-XYLIHAQWSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene?
The IUPAC name of (2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene (CID 102272970) is (2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene?
The canonical SMILES for (2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene is C#CCOC/C=C/C(C)=C/C.
What is the InChIKey of (2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene?
The InChIKey is IFLNGYDOPSWCAP-XYLIHAQWSA-N. The full InChI is InChI=1S/C10H14O/c1-4-8-11-9-6-7-10(3)5-2/h1,5-7H,8-9H2,2-3H3/b7-6+,10-5+.
What are the key properties of (2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene?
(2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene has a molecular weight of 150.22 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-methyl-1-prop-2-ynoxyhexa-2,4-diene is sourced from PubChem (CID 102272970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).