1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene

C32H46 — CID 159258781

IUPAC1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene
SMILESCC(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H30.C14H16/c1-13(2)9-14-10-15(17(3,4)5)12-16(11-14)18(6,7)8;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12/h10-13H,9H2,1-8H3;3-8,10-11H,9H2,1-2H3
InChIKeyKWFXDRYPGFICIZ-UHFFFAOYSA-N
MW430.72 g/mol
LogP9.52
Rot. Bonds4

About 1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene

1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene (PubChem CID 159258781) has the molecular formula C32H46 and a molecular weight of 430.72 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene.

Molecular Properties

Compound Name1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene
PubChem CID159258781
Molecular FormulaC32H46
Molecular Weight430.72 g/mol
Exact Mass430.36
IUPAC Name1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene
SMILESCC(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H30.C14H16/c1-13(2)9-14-10-15(17(3,4)5)12-16(11-14)18(6,7)8;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12/h10-13H,9H2,1-8H3;3-8,10-11H,9H2,1-2H3
InChIKeyKWFXDRYPGFICIZ-UHFFFAOYSA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
3-[1-(7-tert-butylnaphthalen-2-yl)propan-2-yl]isoquinoline
CID 146199056
7-(2-methylpropyl)-3-phenylisoquinoline
CID 170528428
N-ethyl-5-methyl-1-naphthalen-2-ylhexan-2-amine
CID 63527714
(3,3-dimethyl-1-naphthalen-2-ylbutan-2-yl)hydrazine
CID 105305312
2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene
CID 159124512
2-(2-nitropropyl)naphthalene
CID 102503616
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
CID 57195699
3-methyl-2-(naphthalen-2-ylmethyl)butanenitrile
CID 116931777
2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene
CID 86082412
ethane;2-ethylnaphthalene
CID 90684887
7-tert-butyl-1-(7-tert-butylpyren-2-yl)-3-[7-(2-methylpropyl)pyren-2-yl]pyrene
CID 123999408

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene?
The IUPAC name of 1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene (CID 159258781) is 1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene.
What is the SMILES notation for 1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene?
The canonical SMILES for 1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene is CC(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene?
The InChIKey is KWFXDRYPGFICIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C14H16/c1-13(2)9-14-10-15(17(3,4)5)12-16(11-14)18(6,7)8;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12/h10-13H,9H2,1-8H3;3-8,10-11H,9H2,1-2H3.
What are the key properties of 1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene?
1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene has a molecular weight of 430.72 g/mol, XLogP of 9.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene is sourced from PubChem (CID 159258781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).