2-penta-2,4-dienoxyethanol

C7H12O2 — CID 141172207

IUPAC2-penta-2,4-dienoxyethanol
SMILESC=CC=CCOCCO
InChIInChI=1S/C7H12O2/c1-2-3-4-6-9-7-5-8/h2-4,8H,1,5-7H2
InChIKeyWAVPVDPBHBRWJN-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.74
Rot. Bonds5

About 2-penta-2,4-dienoxyethanol

2-penta-2,4-dienoxyethanol (PubChem CID 141172207) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-penta-2,4-dienoxyethanol.

Molecular Properties

Compound Name2-penta-2,4-dienoxyethanol
PubChem CID141172207
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-penta-2,4-dienoxyethanol
SMILESC=CC=CCOCCO
InChIInChI=1S/C7H12O2/c1-2-3-4-6-9-7-5-8/h2-4,8H,1,5-7H2
InChIKeyWAVPVDPBHBRWJN-UHFFFAOYSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol
CID 10375034
2-[(E)-pent-2-enoxy]ethanol
CID 130122499
2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 87170296
2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 88726836
3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol
CID 86746415
2-[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoxy]ethanol
CID 87552949
penta-2,4-dienyl hydrogen carbonate
CID 151360859
ethane-1,2-diol;(3E)-hexa-1,3-diene
CID 87937572
2-(penta-2,4-dienoxymethyl)oxirane
CID 141258620
2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol
CID 141387799

Frequently Asked Questions

What is the IUPAC name of 2-penta-2,4-dienoxyethanol?
The IUPAC name of 2-penta-2,4-dienoxyethanol (CID 141172207) is 2-penta-2,4-dienoxyethanol.
What is the SMILES notation for 2-penta-2,4-dienoxyethanol?
The canonical SMILES for 2-penta-2,4-dienoxyethanol is C=CC=CCOCCO.
What is the InChIKey of 2-penta-2,4-dienoxyethanol?
The InChIKey is WAVPVDPBHBRWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-4-6-9-7-5-8/h2-4,8H,1,5-7H2.
What are the key properties of 2-penta-2,4-dienoxyethanol?
2-penta-2,4-dienoxyethanol has a molecular weight of 128.17 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-penta-2,4-dienoxyethanol is sourced from PubChem (CID 141172207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).