(3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene

C10H14O — CID 137474318

IUPAC(3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene
SMILESC#CCOC/C(C)=C/C(=C)C
InChIInChI=1S/C10H14O/c1-5-6-11-8-10(4)7-9(2)3/h1,7H,2,6,8H2,3-4H3/b10-7+
InChIKeyYUNDGXORZPXQBU-JXMROGBWSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds4

About (3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene

(3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene (PubChem CID 137474318) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene.

Molecular Properties

Compound Name(3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene
PubChem CID137474318
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene
SMILESC#CCOC/C(C)=C/C(=C)C
InChIInChI=1S/C10H14O/c1-5-6-11-8-10(4)7-9(2)3/h1,7H,2,6,8H2,3-4H3/b10-7+
InChIKeyYUNDGXORZPXQBU-JXMROGBWSA-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 (3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene?
The IUPAC name of (3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene (CID 137474318) is (3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene.
What is the SMILES notation for (3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene?
The canonical SMILES for (3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene is C#CCOC/C(C)=C/C(=C)C.
What is the InChIKey of (3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene?
The InChIKey is YUNDGXORZPXQBU-JXMROGBWSA-N. The full InChI is InChI=1S/C10H14O/c1-5-6-11-8-10(4)7-9(2)3/h1,7H,2,6,8H2,3-4H3/b10-7+.
What are the key properties of (3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene?
(3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-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 (3E)-2,4-dimethyl-5-prop-2-ynoxypenta-1,3-diene is sourced from PubChem (CID 137474318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).