benzene;ethane;bis(2-methylpropane);naphthalene

C26H40 — CID 159562136

IUPACbenzene;ethane;bis(2-methylpropane);naphthalene
SMILESCC.CC(C)C.CC(C)C.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C10H8.C6H6.2C4H10.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;2*1-4(2)3;1-2/h1-8H;1-6H;2*4H,1-3H3;1-2H3
InChIKeyMGTGGOHKRBZPHP-UHFFFAOYSA-N
MW352.61 g/mol
LogP8.88
Rot. Bonds

About benzene;ethane;bis(2-methylpropane);naphthalene

benzene;ethane;bis(2-methylpropane);naphthalene (PubChem CID 159562136) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is benzene;ethane;bis(2-methylpropane);naphthalene.

Molecular Properties

Compound Namebenzene;ethane;bis(2-methylpropane);naphthalene
PubChem CID159562136
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Namebenzene;ethane;bis(2-methylpropane);naphthalene
SMILESCC.CC(C)C.CC(C)C.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C10H8.C6H6.2C4H10.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;2*1-4(2)3;1-2/h1-8H;1-6H;2*4H,1-3H3;1-2H3
InChIKeyMGTGGOHKRBZPHP-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
BENZ(a)ANTHRACENE
CID 5954
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
Naphthacene
CID 7080
5-Methylchrysene
CID 19427
O-Terphenyl
CID 6766

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;bis(2-methylpropane);naphthalene?
The IUPAC name of benzene;ethane;bis(2-methylpropane);naphthalene (CID 159562136) is benzene;ethane;bis(2-methylpropane);naphthalene.
What is the SMILES notation for benzene;ethane;bis(2-methylpropane);naphthalene?
The canonical SMILES for benzene;ethane;bis(2-methylpropane);naphthalene is CC.CC(C)C.CC(C)C.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;ethane;bis(2-methylpropane);naphthalene?
The InChIKey is MGTGGOHKRBZPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C6H6.2C4H10.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;2*1-4(2)3;1-2/h1-8H;1-6H;2*4H,1-3H3;1-2H3.
What are the key properties of benzene;ethane;bis(2-methylpropane);naphthalene?
benzene;ethane;bis(2-methylpropane);naphthalene has a molecular weight of 352.61 g/mol, XLogP of 8.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;bis(2-methylpropane);naphthalene is sourced from PubChem (CID 159562136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).