1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane

C67H134 — CID 159661868

IUPAC1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane
SMILESCC(C)(C)C1(C)CCCC1.CC(C)(C)C1(C)CCCCC1.CC(C)C1(C)CCCC1.CC(C)C1(C)CCCCC1.CCC1(C)CCCC1.CCC1(C)CCCCC1.CCC1(C)CCCCCC1
InChIInChI=1S/C11H22.3C10H20.2C9H18.C8H16/c1-10(2,3)11(4)8-6-5-7-9-11;1-9(2,3)10(4)7-5-6-8-10;1-9(2)10(3)7-5-4-6-8-10;1-3-10(2)8-6-4-5-7-9-10;1-8(2)9(3)6-4-5-7-9;1-3-9(2)7-5-4-6-8-9;1-3-8(2)6-4-5-7-8/h5-9H2,1-4H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;3-9H2,1-2H3;8H,4-7H2,1-3H3;3-8H2,1-2H3;3-7H2,1-2H3
InChIKeyMSXKFRHYFUGQLE-UHFFFAOYSA-N
MW939.81 g/mol
LogP24.55
Rot. Bonds5

About 1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane

1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane (PubChem CID 159661868) has the molecular formula C67H134 and a molecular weight of 939.81 g/mol. Its IUPAC name is 1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane
PubChem CID159661868
Molecular FormulaC67H134
Molecular Weight939.81 g/mol
Exact Mass939.05
IUPAC Name1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane
SMILESCC(C)(C)C1(C)CCCC1.CC(C)(C)C1(C)CCCCC1.CC(C)C1(C)CCCC1.CC(C)C1(C)CCCCC1.CCC1(C)CCCC1.CCC1(C)CCCCC1.CCC1(C)CCCCCC1
InChIInChI=1S/C11H22.3C10H20.2C9H18.C8H16/c1-10(2,3)11(4)8-6-5-7-9-11;1-9(2,3)10(4)7-5-6-8-10;1-9(2)10(3)7-5-4-6-8-10;1-3-10(2)8-6-4-5-7-9-10;1-8(2)9(3)6-4-5-7-9;1-3-9(2)7-5-4-6-8-9;1-3-8(2)6-4-5-7-8/h5-9H2,1-4H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;3-9H2,1-2H3;8H,4-7H2,1-3H3;3-8H2,1-2H3;3-7H2,1-2H3
InChIKeyMSXKFRHYFUGQLE-UHFFFAOYSA-N
XLogP24.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.81
LogP ≤ 524.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-1-methylcyclohexane;molecular hydrogen
CID 143091347
1-tert-butyl-1-methylcyclopentane
CID 21351462
1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane
CID 91393597
1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane
CID 142366405
1-methyl-1-propan-2-ylcyclohexane;1-propan-2-yladamantane;2,2,3-trimethylbutane;2,3,3-trimethylpentane
CID 158440041
1-ethyl-1,4-dimethylcycloheptane
CID 91266372
1,4-dimethyl-1-propan-2-ylcycloheptane
CID 123383887
8-tert-butyl-8-methylspiro[4.5]decane
CID 59599278
cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane
CID 173121193
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928
1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane
CID 123373940

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane?
The IUPAC name of 1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane (CID 159661868) is 1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane.
What is the SMILES notation for 1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane?
The canonical SMILES for 1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane is CC(C)(C)C1(C)CCCC1.CC(C)(C)C1(C)CCCCC1.CC(C)C1(C)CCCC1.CC(C)C1(C)CCCCC1.CCC1(C)CCCC1.CCC1(C)CCCCC1.CCC1(C)CCCCCC1.
What is the InChIKey of 1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane?
The InChIKey is MSXKFRHYFUGQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.3C10H20.2C9H18.C8H16/c1-10(2,3)11(4)8-6-5-7-9-11;1-9(2,3)10(4)7-5-6-8-10;1-9(2)10(3)7-5-4-6-8-10;1-3-10(2)8-6-4-5-7-9-10;1-8(2)9(3)6-4-5-7-9;1-3-9(2)7-5-4-6-8-9;1-3-8(2)6-4-5-7-8/h5-9H2,1-4H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;3-9H2,1-2H3;8H,4-7H2,1-3H3;3-8H2,1-2H3;3-7H2,1-2H3.
What are the key properties of 1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane?
1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane has a molecular weight of 939.81 g/mol, XLogP of 24.55, 5 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;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane is sourced from PubChem (CID 159661868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).