1,3-dibutyl-5-propan-2-ylbenzene

C17H28 — CID 19812391

IUPAC1,3-dibutyl-5-propan-2-ylbenzene
SMILESCCCCc1cc(CCCC)cc(C(C)C)c1
InChIInChI=1S/C17H28/c1-5-7-9-15-11-16(10-8-6-2)13-17(12-15)14(3)4/h11-14H,5-10H2,1-4H3
InChIKeyIGQPAKLVPXPZMH-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.50
Rot. Bonds7

About 1,3-dibutyl-5-propan-2-ylbenzene

1,3-dibutyl-5-propan-2-ylbenzene (PubChem CID 19812391) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,3-dibutyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1,3-dibutyl-5-propan-2-ylbenzene
PubChem CID19812391
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1,3-dibutyl-5-propan-2-ylbenzene
SMILESCCCCc1cc(CCCC)cc(C(C)C)c1
InChIInChI=1S/C17H28/c1-5-7-9-15-11-16(10-8-6-2)13-17(12-15)14(3)4/h11-14H,5-10H2,1-4H3
InChIKeyIGQPAKLVPXPZMH-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
3,5-dibutylphenol
CID 15936149
[3-butyl-5-(1-methoxybutyl)phenyl]methanamine
CID 146566049
1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene
CID 68591438
1,5-dibutyl-3-tert-butylbenzene
CID 140589363
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol
CID 122692713
3-butyl-5-propylphenol
CID 69337384
1-butyl-3-(1-phenylethyl)benzene
CID 141315490

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-5-propan-2-ylbenzene?
The IUPAC name of 1,3-dibutyl-5-propan-2-ylbenzene (CID 19812391) is 1,3-dibutyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1,3-dibutyl-5-propan-2-ylbenzene?
The canonical SMILES for 1,3-dibutyl-5-propan-2-ylbenzene is CCCCc1cc(CCCC)cc(C(C)C)c1.
What is the InChIKey of 1,3-dibutyl-5-propan-2-ylbenzene?
The InChIKey is IGQPAKLVPXPZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-5-7-9-15-11-16(10-8-6-2)13-17(12-15)14(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,3-dibutyl-5-propan-2-ylbenzene?
1,3-dibutyl-5-propan-2-ylbenzene has a molecular weight of 232.41 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-5-propan-2-ylbenzene is sourced from PubChem (CID 19812391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).