2-methoxypenta-1,4-dien-3-ol

C6H10O2 — CID 13483518

IUPAC2-methoxypenta-1,4-dien-3-ol
SMILESC=CC(O)C(=C)OC
InChIInChI=1S/C6H10O2/c1-4-6(7)5(2)8-3/h4,6-7H,1-2H2,3H3
InChIKeySUOMIVWTSUCJAK-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.69
Rot. Bonds3

About 2-methoxypenta-1,4-dien-3-ol

2-methoxypenta-1,4-dien-3-ol (PubChem CID 13483518) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methoxypenta-1,4-dien-3-ol.

Molecular Properties

Compound Name2-methoxypenta-1,4-dien-3-ol
PubChem CID13483518
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methoxypenta-1,4-dien-3-ol
SMILESC=CC(O)C(=C)OC
InChIInChI=1S/C6H10O2/c1-4-6(7)5(2)8-3/h4,6-7H,1-2H2,3H3
InChIKeySUOMIVWTSUCJAK-UHFFFAOYSA-N
XLogP0.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methoxypenta-1,4-dien-3-ol?
The IUPAC name of 2-methoxypenta-1,4-dien-3-ol (CID 13483518) is 2-methoxypenta-1,4-dien-3-ol.
What is the SMILES notation for 2-methoxypenta-1,4-dien-3-ol?
The canonical SMILES for 2-methoxypenta-1,4-dien-3-ol is C=CC(O)C(=C)OC.
What is the InChIKey of 2-methoxypenta-1,4-dien-3-ol?
The InChIKey is SUOMIVWTSUCJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-6(7)5(2)8-3/h4,6-7H,1-2H2,3H3.
What are the key properties of 2-methoxypenta-1,4-dien-3-ol?
2-methoxypenta-1,4-dien-3-ol has a molecular weight of 114.14 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypenta-1,4-dien-3-ol is sourced from PubChem (CID 13483518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).