2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene

C17H28O3 — CID 165127781

IUPAC2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
SMILESCC(C)CCOCC(C)OCCOCc1ccccc1
InChIInChI=1S/C17H28O3/c1-15(2)9-10-18-13-16(3)20-12-11-19-14-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3
InChIKeyHOKZIKYNFYEXGA-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.67
Rot. Bonds11

About 2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene

2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene (PubChem CID 165127781) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene.

Molecular Properties

Compound Name2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
PubChem CID165127781
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
SMILESCC(C)CCOCC(C)OCCOCc1ccccc1
InChIInChI=1S/C17H28O3/c1-15(2)9-10-18-13-16(3)20-12-11-19-14-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3
InChIKeyHOKZIKYNFYEXGA-UHFFFAOYSA-N
XLogP3.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
2-(6-bromohexan-2-yloxy)ethoxymethylbenzene
CID 91560056
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
1-butoxypropan-2-yloxymethylbenzene
CID 12963722
N-methyl-2-(2-phenylmethoxypropoxy)ethanamine
CID 175417034
2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate
CID 90840160
4-(2-phenylmethoxyethoxy)pentyl carbamate
CID 175093685
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
1-(3-methylbutoxymethyl)-4-(propoxymethyl)benzene
CID 118041316
ethylbenzene;3-methyl-1-(3-methylbutoxy)butane
CID 67286495
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene?
The IUPAC name of 2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene (CID 165127781) is 2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene.
What is the SMILES notation for 2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene?
The canonical SMILES for 2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene is CC(C)CCOCC(C)OCCOCc1ccccc1.
What is the InChIKey of 2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene?
The InChIKey is HOKZIKYNFYEXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-15(2)9-10-18-13-16(3)20-12-11-19-14-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of 2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene?
2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene has a molecular weight of 280.41 g/mol, XLogP of 3.67, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene is sourced from PubChem (CID 165127781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).