1,5-dibutyl-3-tert-butylbenzene

C18H30 — CID 140589363

IUPAC1,5-dibutyl-3-tert-butylbenzene
SMILESCCCCc1cc(CCCC)cc(C(C)(C)C)c1
InChIInChI=1S/C18H30/c1-6-8-10-15-12-16(11-9-7-2)14-17(13-15)18(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyMENZYWRVOKXVFH-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.67
Rot. Bonds6

About 1,5-dibutyl-3-tert-butylbenzene

1,5-dibutyl-3-tert-butylbenzene (PubChem CID 140589363) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,5-dibutyl-3-tert-butylbenzene.

Molecular Properties

Compound Name1,5-dibutyl-3-tert-butylbenzene
PubChem CID140589363
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,5-dibutyl-3-tert-butylbenzene
SMILESCCCCc1cc(CCCC)cc(C(C)(C)C)c1
InChIInChI=1S/C18H30/c1-6-8-10-15-12-16(11-9-7-2)14-17(13-15)18(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyMENZYWRVOKXVFH-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816
1-tert-butyl-3,5-bis(3-chloropropyl)benzene
CID 89314999
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
[3-butyl-5-(trifluoromethyl)phenyl]methanol
CID 118268639
4-butyl-2,6-ditert-butylphenol
CID 158079570
1-tert-butyl-3-nitro-5-pentylbenzene
CID 70646224
2,2-bis(3-tert-butyl-5-tetradecylphenyl)propanoic acid
CID 175007618
2-(3,5-dibutylphenyl)propan-2-yl carbamate
CID 66600004
3,5-dibutylphenol
CID 15936149
1,3-ditert-butyl-5-(3-phenylpropyl)benzene
CID 101326636
3-butyl-5-propylphenol
CID 69337384
1,3-dibutyl-5-propan-2-ylbenzene
CID 19812391

Frequently Asked Questions

What is the IUPAC name of 1,5-dibutyl-3-tert-butylbenzene?
The IUPAC name of 1,5-dibutyl-3-tert-butylbenzene (CID 140589363) is 1,5-dibutyl-3-tert-butylbenzene.
What is the SMILES notation for 1,5-dibutyl-3-tert-butylbenzene?
The canonical SMILES for 1,5-dibutyl-3-tert-butylbenzene is CCCCc1cc(CCCC)cc(C(C)(C)C)c1.
What is the InChIKey of 1,5-dibutyl-3-tert-butylbenzene?
The InChIKey is MENZYWRVOKXVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-6-8-10-15-12-16(11-9-7-2)14-17(13-15)18(3,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1,5-dibutyl-3-tert-butylbenzene?
1,5-dibutyl-3-tert-butylbenzene has a molecular weight of 246.44 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutyl-3-tert-butylbenzene is sourced from PubChem (CID 140589363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).