2-penta-2,4-dien-2-yloxyethanol

C7H12O2 — CID 123362544

IUPAC2-penta-2,4-dien-2-yloxyethanol
SMILESC=CC=C(C)OCCO
InChIInChI=1S/C7H12O2/c1-3-4-7(2)9-6-5-8/h3-4,8H,1,5-6H2,2H3
InChIKeyWYNNVVIFUUOUHW-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.09
Rot. Bonds4

About 2-penta-2,4-dien-2-yloxyethanol

2-penta-2,4-dien-2-yloxyethanol (PubChem CID 123362544) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-penta-2,4-dien-2-yloxyethanol.

Molecular Properties

Compound Name2-penta-2,4-dien-2-yloxyethanol
PubChem CID123362544
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-penta-2,4-dien-2-yloxyethanol
SMILESC=CC=C(C)OCCO
InChIInChI=1S/C7H12O2/c1-3-4-7(2)9-6-5-8/h3-4,8H,1,5-6H2,2H3
InChIKeyWYNNVVIFUUOUHW-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid
CID 171093400
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
ethyl acetate;2-hydroxyethyl prop-2-enoate
CID 161101194
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate
CID 175328029
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
2-hydroxyethyl 2,3-dimethylpenta-2,4-dienoate
CID 175185159
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
4-propan-2-yloxypenta-1,3-diene
CID 123824588
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
2-hydroxyethyl 3-oxo-2-propan-2-ylidenepent-4-enoate
CID 87410832

Frequently Asked Questions

What is the IUPAC name of 2-penta-2,4-dien-2-yloxyethanol?
The IUPAC name of 2-penta-2,4-dien-2-yloxyethanol (CID 123362544) is 2-penta-2,4-dien-2-yloxyethanol.
What is the SMILES notation for 2-penta-2,4-dien-2-yloxyethanol?
The canonical SMILES for 2-penta-2,4-dien-2-yloxyethanol is C=CC=C(C)OCCO.
What is the InChIKey of 2-penta-2,4-dien-2-yloxyethanol?
The InChIKey is WYNNVVIFUUOUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-7(2)9-6-5-8/h3-4,8H,1,5-6H2,2H3.
What are the key properties of 2-penta-2,4-dien-2-yloxyethanol?
2-penta-2,4-dien-2-yloxyethanol 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-2,4-dien-2-yloxyethanol is sourced from PubChem (CID 123362544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).