2-penta-1,4-dien-2-yloxyethoxybenzene

C13H16O2 — CID 57219180

IUPAC2-penta-1,4-dien-2-yloxyethoxybenzene
SMILESC=CCC(=C)OCCOc1ccccc1
InChIInChI=1S/C13H16O2/c1-3-7-12(2)14-10-11-15-13-8-5-4-6-9-13/h3-6,8-9H,1-2,7,10-11H2
InChIKeyXRCSMCZIAMJJTB-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.17
Rot. Bonds7

About 2-penta-1,4-dien-2-yloxyethoxybenzene

2-penta-1,4-dien-2-yloxyethoxybenzene (PubChem CID 57219180) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-penta-1,4-dien-2-yloxyethoxybenzene.

Molecular Properties

Compound Name2-penta-1,4-dien-2-yloxyethoxybenzene
PubChem CID57219180
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-penta-1,4-dien-2-yloxyethoxybenzene
SMILESC=CCC(=C)OCCOc1ccccc1
InChIInChI=1S/C13H16O2/c1-3-7-12(2)14-10-11-15-13-8-5-4-6-9-13/h3-6,8-9H,1-2,7,10-11H2
InChIKeyXRCSMCZIAMJJTB-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenoxyphenoxy)ethyl but-3-enoate
CID 54166268
1-phenoxypent-4-en-2-one
CID 62716371
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene
CID 146427662
2-phenoxyethylmercury
CID 163598363
2-phenoxyethyl 2-aminoacetate
CID 61302270
methyl 2-(2-phenoxyethoxy)prop-2-enoate
CID 174353972
CID 58544227
CID 58544227
CID 174846151
CID 174846151
9-phenoxynon-1-en-4-ol
CID 86063840
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575

Frequently Asked Questions

What is the IUPAC name of 2-penta-1,4-dien-2-yloxyethoxybenzene?
The IUPAC name of 2-penta-1,4-dien-2-yloxyethoxybenzene (CID 57219180) is 2-penta-1,4-dien-2-yloxyethoxybenzene.
What is the SMILES notation for 2-penta-1,4-dien-2-yloxyethoxybenzene?
The canonical SMILES for 2-penta-1,4-dien-2-yloxyethoxybenzene is C=CCC(=C)OCCOc1ccccc1.
What is the InChIKey of 2-penta-1,4-dien-2-yloxyethoxybenzene?
The InChIKey is XRCSMCZIAMJJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-7-12(2)14-10-11-15-13-8-5-4-6-9-13/h3-6,8-9H,1-2,7,10-11H2.
What are the key properties of 2-penta-1,4-dien-2-yloxyethoxybenzene?
2-penta-1,4-dien-2-yloxyethoxybenzene has a molecular weight of 204.27 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-penta-1,4-dien-2-yloxyethoxybenzene is sourced from PubChem (CID 57219180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).