3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene

C17H26O3 — CID 175197492

IUPAC3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
SMILESC=C(COCCOCCOCCCC)c1ccccc1
InChIInChI=1S/C17H26O3/c1-3-4-10-18-11-12-19-13-14-20-15-16(2)17-8-6-5-7-9-17/h5-9H,2-4,10-15H2,1H3
InChIKeyCJZZSXXZQXKMTQ-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.55
Rot. Bonds12

About 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene

3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene (PubChem CID 175197492) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
PubChem CID175197492
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
SMILESC=C(COCCOCCOCCCC)c1ccccc1
InChIInChI=1S/C17H26O3/c1-3-4-10-18-11-12-19-13-14-20-15-16(2)17-8-6-5-7-9-17/h5-9H,2-4,10-15H2,1H3
InChIKeyCJZZSXXZQXKMTQ-UHFFFAOYSA-N
XLogP3.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pentoxyprop-1-en-2-ylbenzene
CID 174460660
1-[3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]-4-prop-1-en-2-ylbenzene;ethane
CID 163241395
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
3-(6-bromohexoxy)prop-1-en-2-ylbenzene
CID 70184291
1-pentoxypentane;1-phenylethenylbenzene
CID 174459575
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate
CID 146469280
benzoic acid;1-pentoxypentane
CID 70815519
2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169
1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene
CID 156647387
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
butyl 2-hydroxy-4-phenylpent-4-enoate
CID 15878269

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene?
The IUPAC name of 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene (CID 175197492) is 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene.
What is the SMILES notation for 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene?
The canonical SMILES for 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene is C=C(COCCOCCOCCCC)c1ccccc1.
What is the InChIKey of 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene?
The InChIKey is CJZZSXXZQXKMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-3-4-10-18-11-12-19-13-14-20-15-16(2)17-8-6-5-7-9-17/h5-9H,2-4,10-15H2,1H3.
What are the key properties of 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene?
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene has a molecular weight of 278.39 g/mol, XLogP of 3.55, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene is sourced from PubChem (CID 175197492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).