2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene

C15H22O2 — CID 146427662

IUPAC2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene
SMILESC=C(OCCOc1ccccc1)C(CC)CC
InChIInChI=1S/C15H22O2/c1-4-14(5-2)13(3)16-11-12-17-15-9-7-6-8-10-15/h6-10,14H,3-5,11-12H2,1-2H3
InChIKeyQKMSRYHCOSZZOK-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.03
Rot. Bonds8

About 2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene

2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene (PubChem CID 146427662) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene.

Molecular Properties

Compound Name2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene
PubChem CID146427662
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene
SMILESC=C(OCCOc1ccccc1)C(CC)CC
InChIInChI=1S/C15H22O2/c1-4-14(5-2)13(3)16-11-12-17-15-9-7-6-8-10-15/h6-10,14H,3-5,11-12H2,1-2H3
InChIKeyQKMSRYHCOSZZOK-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.03
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'}

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Related Compounds

(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
2-ethyl-5-phenoxypentanoic acid
CID 62936111
2-penta-1,4-dien-2-yloxyethoxybenzene
CID 57219180
2-phenoxyethyl 2-aminopropanoate
CID 61301873
methyl 2-(2-phenoxyethoxy)prop-2-enoate
CID 174353972
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
2-phenoxyethyl 2-oxobutanoate
CID 71400908
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
butane;3-oxo-3-(2-phenoxyethoxy)propanoic acid
CID 70425950
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene?
The IUPAC name of 2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene (CID 146427662) is 2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene.
What is the SMILES notation for 2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene?
The canonical SMILES for 2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene is C=C(OCCOc1ccccc1)C(CC)CC.
What is the InChIKey of 2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene?
The InChIKey is QKMSRYHCOSZZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-14(5-2)13(3)16-11-12-17-15-9-7-6-8-10-15/h6-10,14H,3-5,11-12H2,1-2H3.
What are the key properties of 2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene?
2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene has a molecular weight of 234.34 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpent-1-en-2-yloxy)ethoxybenzene is sourced from PubChem (CID 146427662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).