1-tert-butyl-3-(5-methoxypentoxy)benzene

C16H26O2 — CID 71001678

IUPAC1-tert-butyl-3-(5-methoxypentoxy)benzene
SMILESCOCCCCCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H26O2/c1-16(2,3)14-9-8-10-15(13-14)18-12-7-5-6-11-17-4/h8-10,13H,5-7,11-12H2,1-4H3
InChIKeyHOKOGYXKXNSGAV-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.18
Rot. Bonds7

About 1-tert-butyl-3-(5-methoxypentoxy)benzene

1-tert-butyl-3-(5-methoxypentoxy)benzene (PubChem CID 71001678) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(5-methoxypentoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(5-methoxypentoxy)benzene
PubChem CID71001678
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-tert-butyl-3-(5-methoxypentoxy)benzene
SMILESCOCCCCCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H26O2/c1-16(2,3)14-9-8-10-15(13-14)18-12-7-5-6-11-17-4/h8-10,13H,5-7,11-12H2,1-4H3
InChIKeyHOKOGYXKXNSGAV-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-(5-methoxypentoxy)benzene 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-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
6-(3-tert-butylphenoxy)-2,2-dimethylhexanenitrile
CID 106710429
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol
CID 20619609
3-tert-butyl-N-[2-[3-(2-methoxyethoxy)phenyl]-2-methylpropyl]aniline
CID 167076442
5-(3-tert-butylphenoxy)-2,2-dimethylpentanenitrile
CID 65257601
5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
CID 109374748
2-(3-tert-butylphenoxy)-N,N-diethylethanamine
CID 20619676
(2S)-4-(3-tert-butylphenoxy)butan-2-amine
CID 39245152
6-(3-tert-butylphenoxy)hexan-3-ol
CID 106802689

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(5-methoxypentoxy)benzene?
The IUPAC name of 1-tert-butyl-3-(5-methoxypentoxy)benzene (CID 71001678) is 1-tert-butyl-3-(5-methoxypentoxy)benzene.
What is the SMILES notation for 1-tert-butyl-3-(5-methoxypentoxy)benzene?
The canonical SMILES for 1-tert-butyl-3-(5-methoxypentoxy)benzene is COCCCCCOc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(5-methoxypentoxy)benzene?
The InChIKey is HOKOGYXKXNSGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-16(2,3)14-9-8-10-15(13-14)18-12-7-5-6-11-17-4/h8-10,13H,5-7,11-12H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(5-methoxypentoxy)benzene?
1-tert-butyl-3-(5-methoxypentoxy)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(5-methoxypentoxy)benzene is sourced from PubChem (CID 71001678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).