butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene

C30H51F — CID 153384961

IUPACbutane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene
SMILESCC.CCCC.Cc1c(F)cc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C
InChIInChI=1S/C13H19F.C11H16.C4H10.C2H6/c1-8(2)11-6-12(9(3)4)10(5)13(14)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-3-4-2;1-2/h6-9H,1-5H3;5-8H,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeyTZOVVGZDJCIAMA-UHFFFAOYSA-N
MW430.74 g/mol
LogP10.64
Rot. Bonds4

About butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene

butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene (PubChem CID 153384961) has the molecular formula C30H51F and a molecular weight of 430.74 g/mol. Its IUPAC name is butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Namebutane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene
PubChem CID153384961
Molecular FormulaC30H51F
Molecular Weight430.74 g/mol
Exact Mass430.40
IUPAC Namebutane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene
SMILESCC.CCCC.Cc1c(F)cc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C
InChIInChI=1S/C13H19F.C11H16.C4H10.C2H6/c1-8(2)11-6-12(9(3)4)10(5)13(14)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-3-4-2;1-2/h6-9H,1-5H3;5-8H,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeyTZOVVGZDJCIAMA-UHFFFAOYSA-N
XLogP10.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.74
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
CID 142540260
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 167517965
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117353289
pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane
CID 170246244
5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene
CID 168837309

Frequently Asked Questions

What is the IUPAC name of butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene?
The IUPAC name of butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene (CID 153384961) is butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene.
What is the SMILES notation for butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene?
The canonical SMILES for butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene is CC.CCCC.Cc1c(F)cc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C.
What is the InChIKey of butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene?
The InChIKey is TZOVVGZDJCIAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F.C11H16.C4H10.C2H6/c1-8(2)11-6-12(9(3)4)10(5)13(14)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-3-4-2;1-2/h6-9H,1-5H3;5-8H,1-4H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene?
butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene has a molecular weight of 430.74 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,2-dimethyl-4-propan-2-ylbenzene;ethane;1-fluoro-2-methyl-3,5-di(propan-2-yl)benzene is sourced from PubChem (CID 153384961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).