1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane

C19H40 — CID 142366405

IUPAC1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane
SMILESCC.CC(C)(C)C1(C)CCCCC1.CCC1CCC1
InChIInChI=1S/C11H22.C6H12.C2H6/c1-10(2,3)11(4)8-6-5-7-9-11;1-2-6-4-3-5-6;1-2/h5-9H2,1-4H3;6H,2-5H2,1H3;1-2H3
InChIKeyKKQPLFYKZSPBDW-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.23
Rot. Bonds1

About 1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane

1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane (PubChem CID 142366405) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane.

Molecular Properties

Compound Name1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane
PubChem CID142366405
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane
SMILESCC.CC(C)(C)C1(C)CCCCC1.CCC1CCC1
InChIInChI=1S/C11H22.C6H12.C2H6/c1-10(2,3)11(4)8-6-5-7-9-11;1-2-6-4-3-5-6;1-2/h5-9H2,1-4H3;6H,2-5H2,1H3;1-2H3
InChIKeyKKQPLFYKZSPBDW-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-1-methylcyclopentane
CID 21351462
cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
CID 158476891
cyclopropane;ethylcyclobutane;propane
CID 142456817
1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane
CID 123275153
ethane;ethylcyclopentane;1-methyl-1-propylcyclohexane
CID 153335761
ethylcyclooctane;fluoromethane
CID 174962953
ethane;ethene;ethylcyclobutane
CID 164586585
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethane;bis(ethylcyclopentane)
CID 158911237
4-ethyl-1,1,8-trimethylcycloundecane
CID 123611598
ethylcyclobutane;methanamine
CID 175532329
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
CID 178021496

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane?
The IUPAC name of 1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane (CID 142366405) is 1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane.
What is the SMILES notation for 1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane?
The canonical SMILES for 1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane is CC.CC(C)(C)C1(C)CCCCC1.CCC1CCC1.
What is the InChIKey of 1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane?
The InChIKey is KKQPLFYKZSPBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C6H12.C2H6/c1-10(2,3)11(4)8-6-5-7-9-11;1-2-6-4-3-5-6;1-2/h5-9H2,1-4H3;6H,2-5H2,1H3;1-2H3.
What are the key properties of 1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane?
1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane has a molecular weight of 268.53 g/mol, XLogP of 7.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane is sourced from PubChem (CID 142366405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).