anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene

C23H34O3 — CID 175384106

IUPACanisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene
SMILESCC(CCC(C)(C)C)OCCOc1ccccc1.COc1ccccc1
InChIInChI=1S/C16H26O2.C7H8O/c1-14(10-11-16(2,3)4)17-12-13-18-15-8-6-5-7-9-15;1-8-7-5-3-2-4-6-7/h5-9,14H,10-13H2,1-4H3;2-6H,1H3
InChIKeyMFLCJONVRUVVFN-UHFFFAOYSA-N
MW358.52 g/mol
LogP5.99
Rot. Bonds8

About anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene

anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene (PubChem CID 175384106) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene.

Molecular Properties

Compound Nameanisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene
PubChem CID175384106
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Nameanisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene
SMILESCC(CCC(C)(C)C)OCCOc1ccccc1.COc1ccccc1
InChIInChI=1S/C16H26O2.C7H8O/c1-14(10-11-16(2,3)4)17-12-13-18-15-8-6-5-7-9-15;1-8-7-5-3-2-4-6-7/h5-9,14H,10-13H2,1-4H3;2-6H,1H3
InChIKeyMFLCJONVRUVVFN-UHFFFAOYSA-N
XLogP5.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene 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-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane
CID 91062489
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol
CID 64804028
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
2-methyl-2-(methylamino)-4-(2-phenoxyethoxy)pentanamide
CID 64707362
3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64802154
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731

Frequently Asked Questions

What is the IUPAC name of anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene?
The IUPAC name of anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene (CID 175384106) is anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene.
What is the SMILES notation for anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene?
The canonical SMILES for anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene is CC(CCC(C)(C)C)OCCOc1ccccc1.COc1ccccc1.
What is the InChIKey of anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene?
The InChIKey is MFLCJONVRUVVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2.C7H8O/c1-14(10-11-16(2,3)4)17-12-13-18-15-8-6-5-7-9-15;1-8-7-5-3-2-4-6-7/h5-9,14H,10-13H2,1-4H3;2-6H,1H3.
What are the key properties of anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene?
anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene has a molecular weight of 358.52 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene is sourced from PubChem (CID 175384106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).