2-penta-1,3-dienoxyethanol

C7H12O2 — CID 172693400

IUPAC2-penta-1,3-dienoxyethanol
SMILESCC=CC=COCCO
InChIInChI=1S/C7H12O2/c1-2-3-4-6-9-7-5-8/h2-4,6,8H,5,7H2,1H3
InChIKeyBZJFKKAWUQBLIW-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.09
Rot. Bonds4

About 2-penta-1,3-dienoxyethanol

2-penta-1,3-dienoxyethanol (PubChem CID 172693400) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-penta-1,3-dienoxyethanol.

Molecular Properties

Compound Name2-penta-1,3-dienoxyethanol
PubChem CID172693400
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-penta-1,3-dienoxyethanol
SMILESCC=CC=COCCO
InChIInChI=1S/C7H12O2/c1-2-3-4-6-9-7-5-8/h2-4,6,8H,5,7H2,1H3
InChIKeyBZJFKKAWUQBLIW-UHFFFAOYSA-N
XLogP1.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol
CID 6510159
2-(2-iodoethenoxy)ethanol
CID 175246550
(E)-4-(2-hydroxyethoxy)but-3-en-2-one
CID 13225454
(3E)-1-(methoxymethoxy)penta-1,3-diene
CID 134890511
2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol
CID 141050689
2-[2-[2-(2-hydroxyethoxy)ethenylsulfonyl]ethenoxy]ethanol
CID 173146553
(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136
2-[2-[2-[(Z)-2-[2-(2-hydroxyethoxy)ethoxy]ethenoxy]ethoxy]ethoxy]ethanol
CID 11987840
2-(3,3-diethoxyprop-1-enoxy)ethanol
CID 154116417
(4E)-hexa-2,4-diene
CID 22435466
1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol
CID 42626936

Frequently Asked Questions

What is the IUPAC name of 2-penta-1,3-dienoxyethanol?
The IUPAC name of 2-penta-1,3-dienoxyethanol (CID 172693400) is 2-penta-1,3-dienoxyethanol.
What is the SMILES notation for 2-penta-1,3-dienoxyethanol?
The canonical SMILES for 2-penta-1,3-dienoxyethanol is CC=CC=COCCO.
What is the InChIKey of 2-penta-1,3-dienoxyethanol?
The InChIKey is BZJFKKAWUQBLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-4-6-9-7-5-8/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 2-penta-1,3-dienoxyethanol?
2-penta-1,3-dienoxyethanol has a molecular weight of 128.17 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-penta-1,3-dienoxyethanol is sourced from PubChem (CID 172693400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).