tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane

C78H151NO5 — CID 167633592

IUPACtert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCO1.CC(C)(C)C1COC1.CC(C)(C)c1ccccc1.CN1CCOC(C(C)(C)C)C1
InChIInChI=1S/C10H20.C10H14.C9H19NO.2C9H18O.C9H18.C8H16O.C7H14O.C7H14/c2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7-10(4)5-6-11-8;2*1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-6;1-7(2,3)6-4-5-6/h9H,4-8H2,1-3H3;4-8H,1-3H3;8H,5-7H2,1-4H3;2*8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyODSWMNJGXQFLGI-UHFFFAOYSA-N
MW1183.07 g/mol
LogP22.72
Rot. Bonds

About tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane

tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane (PubChem CID 167633592) has the molecular formula C78H151NO5 and a molecular weight of 1183.07 g/mol. Its IUPAC name is tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane.

Molecular Properties

Compound Nametert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane
PubChem CID167633592
Molecular FormulaC78H151NO5
Molecular Weight1183.07 g/mol
Exact Mass1182.16
IUPAC Nametert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCO1.CC(C)(C)C1COC1.CC(C)(C)c1ccccc1.CN1CCOC(C(C)(C)C)C1
InChIInChI=1S/C10H20.C10H14.C9H19NO.2C9H18O.C9H18.C8H16O.C7H14O.C7H14/c2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7-10(4)5-6-11-8;2*1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-6;1-7(2,3)6-4-5-6/h9H,4-8H2,1-3H3;4-8H,1-3H3;8H,5-7H2,1-4H3;2*8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyODSWMNJGXQFLGI-UHFFFAOYSA-N
XLogP22.72
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.07
LogP ≤ 522.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane?
The IUPAC name of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane (CID 167633592) is tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane.
What is the SMILES notation for tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane?
The canonical SMILES for tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane is CC(C)(C)C1CC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCCO1.CC(C)(C)C1CCCO1.CC(C)(C)C1COC1.CC(C)(C)c1ccccc1.CN1CCOC(C(C)(C)C)C1.
What is the InChIKey of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane?
The InChIKey is ODSWMNJGXQFLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C10H14.C9H19NO.2C9H18O.C9H18.C8H16O.C7H14O.C7H14/c2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7-10(4)5-6-11-8;2*1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-6;1-7(2,3)6-4-5-6/h9H,4-8H2,1-3H3;4-8H,1-3H3;8H,5-7H2,1-4H3;2*8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane?
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane has a molecular weight of 1183.07 g/mol, XLogP of 22.72, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane is sourced from PubChem (CID 167633592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).