1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene

C16H26O — CID 143140387

IUPAC1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene
SMILESCCC(C)c1ccccc1C(CC)(CC)OC
InChIInChI=1S/C16H26O/c1-6-13(4)14-11-9-10-12-15(14)16(7-2,8-3)17-5/h9-13H,6-8H2,1-5H3
InChIKeyYBBIHEGKVXGNRY-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.86
Rot. Bonds6

About 1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene

1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene (PubChem CID 143140387) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene.

Molecular Properties

Compound Name1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene
PubChem CID143140387
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene
SMILESCCC(C)c1ccccc1C(CC)(CC)OC
InChIInChI=1S/C16H26O/c1-6-13(4)14-11-9-10-12-15(14)16(7-2,8-3)17-5/h9-13H,6-8H2,1-5H3
InChIKeyYBBIHEGKVXGNRY-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butan-2-yl-2-(3-methoxypentan-3-yl)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

tris(2-butan-2-ylphenyl) phosphite
CID 18519322
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
CID 87179249
2-(2-butan-2-ylphenyl)-1,1,1,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluorononan-2-ol
CID 162348309
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
2-butan-2-ylphenol;formaldehyde
CID 66765994
1-butan-2-yl-2-(3,3,4,4,5,5,6,6,7,7,7-undecafluoro-1-methoxyheptyl)benzene
CID 156763827
(2-butan-2-ylphenyl)-trimethylsilane
CID 140917307
3-butan-2-yl-2-methoxypyridine
CID 130368185
1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene
CID 59734576
1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine
CID 116760606

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene?
The IUPAC name of 1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene (CID 143140387) is 1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene.
What is the SMILES notation for 1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene?
The canonical SMILES for 1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene is CCC(C)c1ccccc1C(CC)(CC)OC.
What is the InChIKey of 1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene?
The InChIKey is YBBIHEGKVXGNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-13(4)14-11-9-10-12-15(14)16(7-2,8-3)17-5/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene?
1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene has a molecular weight of 234.38 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(3-methoxypentan-3-yl)benzene is sourced from PubChem (CID 143140387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).