tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane

C65H120 — CID 158112502

IUPACtert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CC1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1
InChIInChI=1S/2C14H16.C10H14.C7H14.10C2H6/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-10(2,3)9-7-5-4-6-8-9;1-7(2,3)6-4-5-6;10*1-2/h2*4-10H,1-3H3;4-8H,1-3H3;6H,4-5H2,1-3H3;10*1-2H3
InChIKeyFQPKTZOXOUROGF-UHFFFAOYSA-N
MW901.67 g/mol
LogP23.96
Rot. Bonds

About tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane

tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane (PubChem CID 158112502) has the molecular formula C65H120 and a molecular weight of 901.67 g/mol. Its IUPAC name is tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane.

Molecular Properties

Compound Nametert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane
PubChem CID158112502
Molecular FormulaC65H120
Molecular Weight901.67 g/mol
Exact Mass900.94
IUPAC Nametert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CC1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1
InChIInChI=1S/2C14H16.C10H14.C7H14.10C2H6/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-10(2,3)9-7-5-4-6-8-9;1-7(2,3)6-4-5-6;10*1-2/h2*4-10H,1-3H3;4-8H,1-3H3;6H,4-5H2,1-3H3;10*1-2H3
InChIKeyFQPKTZOXOUROGF-UHFFFAOYSA-N
XLogP23.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.67
LogP ≤ 523.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane?
The IUPAC name of tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane (CID 158112502) is tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane.
What is the SMILES notation for tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane?
The canonical SMILES for tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CC1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1.
What is the InChIKey of tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane?
The InChIKey is FQPKTZOXOUROGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.C10H14.C7H14.10C2H6/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-10(2,3)9-7-5-4-6-8-9;1-7(2,3)6-4-5-6;10*1-2/h2*4-10H,1-3H3;4-8H,1-3H3;6H,4-5H2,1-3H3;10*1-2H3.
What are the key properties of tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane?
tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane has a molecular weight of 901.67 g/mol, XLogP of 23.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane is sourced from PubChem (CID 158112502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).