2-dodecoxyethoxybenzene

C20H34O2 — CID 67831231

IUPAC2-dodecoxyethoxybenzene
SMILESCCCCCCCCCCCCOCCOc1ccccc1
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-18-19-22-20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3
InChIKeyXMHMNXBJZAJSKR-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.00
Rot. Bonds15

About 2-dodecoxyethoxybenzene

2-dodecoxyethoxybenzene (PubChem CID 67831231) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-dodecoxyethoxybenzene.

Molecular Properties

Compound Name2-dodecoxyethoxybenzene
PubChem CID67831231
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-dodecoxyethoxybenzene
SMILESCCCCCCCCCCCCOCCOc1ccccc1
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-18-19-22-20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3
InChIKeyXMHMNXBJZAJSKR-UHFFFAOYSA-N
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-dodecoxyethoxybenzene 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

2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
2-pentoxyethoxybenzene
CID 54431229
pentoxybenzene;undecane
CID 174778179
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
nonoxymethoxybenzene
CID 151123684
hexatriacontoxymethoxybenzene
CID 21131247
2-(2-dodecoxyethoxy)ethanol;2-(2-dodecoxyethoxy)ethoxybenzene;iodobenzene
CID 158591710
2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 91565565
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxyethoxybenzene?
The IUPAC name of 2-dodecoxyethoxybenzene (CID 67831231) is 2-dodecoxyethoxybenzene.
What is the SMILES notation for 2-dodecoxyethoxybenzene?
The canonical SMILES for 2-dodecoxyethoxybenzene is CCCCCCCCCCCCOCCOc1ccccc1.
What is the InChIKey of 2-dodecoxyethoxybenzene?
The InChIKey is XMHMNXBJZAJSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-18-19-22-20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3.
What are the key properties of 2-dodecoxyethoxybenzene?
2-dodecoxyethoxybenzene has a molecular weight of 306.49 g/mol, XLogP of 6.00, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxyethoxybenzene is sourced from PubChem (CID 67831231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).