ethane;methane;1,3,5-tritert-butylbenzene

C28H62 — CID 144683024

IUPACethane;methane;1,3,5-tritert-butylbenzene
SMILESC.C.CC.CC.CC.CC.CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C18H30.4C2H6.2CH4/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;4*1-2;;/h10-12H,1-9H3;4*1-2H3;2*1H4
InChIKeyUEHFXPVVAKGDOU-UHFFFAOYSA-N
MW398.80 g/mol
LogP10.96
Rot. Bonds

About ethane;methane;1,3,5-tritert-butylbenzene

ethane;methane;1,3,5-tritert-butylbenzene (PubChem CID 144683024) has the molecular formula C28H62 and a molecular weight of 398.80 g/mol. Its IUPAC name is ethane;methane;1,3,5-tritert-butylbenzene.

Molecular Properties

Compound Nameethane;methane;1,3,5-tritert-butylbenzene
PubChem CID144683024
Molecular FormulaC28H62
Molecular Weight398.80 g/mol
Exact Mass398.49
IUPAC Nameethane;methane;1,3,5-tritert-butylbenzene
SMILESC.C.CC.CC.CC.CC.CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C18H30.4C2H6.2CH4/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;4*1-2;;/h10-12H,1-9H3;4*1-2H3;2*1H4
InChIKeyUEHFXPVVAKGDOU-UHFFFAOYSA-N
XLogP10.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.80
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
bis(3,5-ditert-butylphenyl)phosphane
CID 4191558
1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
CID 4625492
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
2,7-ditert-butylpyrene;ethane
CID 161091366
1,3-ditert-butyl-5-(3,5-ditert-butylphenyl)benzene;phosphorous acid
CID 162262845
1-tert-butyl-3,5-bis(2-methoxypropan-2-yl)benzene
CID 141239687
diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)
CID 153412297
1,3-ditert-butyl-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 19017896
N,N-bis(3,5-ditert-butylphenyl)hydroxylamine
CID 58984158
(3,5-ditert-butylphenoxy)phosphane
CID 59664555
3,5-ditert-butylbenzonitrile
CID 3682565

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1,3,5-tritert-butylbenzene?
The IUPAC name of ethane;methane;1,3,5-tritert-butylbenzene (CID 144683024) is ethane;methane;1,3,5-tritert-butylbenzene.
What is the SMILES notation for ethane;methane;1,3,5-tritert-butylbenzene?
The canonical SMILES for ethane;methane;1,3,5-tritert-butylbenzene is C.C.CC.CC.CC.CC.CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of ethane;methane;1,3,5-tritert-butylbenzene?
The InChIKey is UEHFXPVVAKGDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.4C2H6.2CH4/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;4*1-2;;/h10-12H,1-9H3;4*1-2H3;2*1H4.
What are the key properties of ethane;methane;1,3,5-tritert-butylbenzene?
ethane;methane;1,3,5-tritert-butylbenzene has a molecular weight of 398.80 g/mol, XLogP of 10.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1,3,5-tritert-butylbenzene is sourced from PubChem (CID 144683024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).