tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene

C65H94 — CID 159018658

IUPACtert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)c1cccc2ccccc12.CCC(C)(C)C1CCCCC1.CCC(C)(C)c1ccc2ccccc2c1.CCC(C)(C)c1cccc2ccccc12
InChIInChI=1S/2C15H18.C14H16.C11H22.C10H20/c1-4-15(2,3)14-11-7-9-12-8-5-6-10-13(12)14;1-4-15(2,3)14-10-9-12-7-5-6-8-13(12)11-14;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-4-11(2,3)10-8-6-5-7-9-10;1-10(2,3)9-7-5-4-6-8-9/h2*5-11H,4H2,1-3H3;4-10H,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3
InChIKeyJTKIYDLFEVTLCV-UHFFFAOYSA-N
MW875.47 g/mol
LogP20.81
Rot. Bonds6

About tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene

tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene (PubChem CID 159018658) has the molecular formula C65H94 and a molecular weight of 875.47 g/mol. Its IUPAC name is tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene.

Molecular Properties

Compound Nametert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene
PubChem CID159018658
Molecular FormulaC65H94
Molecular Weight875.47 g/mol
Exact Mass874.74
IUPAC Nametert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)c1cccc2ccccc12.CCC(C)(C)C1CCCCC1.CCC(C)(C)c1ccc2ccccc2c1.CCC(C)(C)c1cccc2ccccc12
InChIInChI=1S/2C15H18.C14H16.C11H22.C10H20/c1-4-15(2,3)14-11-7-9-12-8-5-6-10-13(12)14;1-4-15(2,3)14-10-9-12-7-5-6-8-13(12)11-14;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-4-11(2,3)10-8-6-5-7-9-10;1-10(2,3)9-7-5-4-6-8-9/h2*5-11H,4H2,1-3H3;4-10H,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3
InChIKeyJTKIYDLFEVTLCV-UHFFFAOYSA-N
XLogP20.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.47
LogP ≤ 520.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene?
The IUPAC name of tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene (CID 159018658) is tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene.
What is the SMILES notation for tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene?
The canonical SMILES for tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene is CC(C)(C)C1CCCCC1.CC(C)(C)c1cccc2ccccc12.CCC(C)(C)C1CCCCC1.CCC(C)(C)c1ccc2ccccc2c1.CCC(C)(C)c1cccc2ccccc12.
What is the InChIKey of tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene?
The InChIKey is JTKIYDLFEVTLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18.C14H16.C11H22.C10H20/c1-4-15(2,3)14-11-7-9-12-8-5-6-10-13(12)14;1-4-15(2,3)14-10-9-12-7-5-6-8-13(12)11-14;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-4-11(2,3)10-8-6-5-7-9-10;1-10(2,3)9-7-5-4-6-8-9/h2*5-11H,4H2,1-3H3;4-10H,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3.
What are the key properties of tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene?
tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene has a molecular weight of 875.47 g/mol, XLogP of 20.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;1-tert-butylnaphthalene;2-methylbutan-2-ylcyclohexane;1-(2-methylbutan-2-yl)naphthalene;2-(2-methylbutan-2-yl)naphthalene is sourced from PubChem (CID 159018658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).