1-tert-butyl-3-methylcyclohexane;propane

C14H30 — CID 177337386

IUPAC1-tert-butyl-3-methylcyclohexane;propane
SMILESCC1CCCC(C(C)(C)C)C1.CCC
InChIInChI=1S/C11H22.C3H8/c1-9-6-5-7-10(8-9)11(2,3)4;1-3-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3
InChIKeyHHDWITAQJOENRU-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds

About 1-tert-butyl-3-methylcyclohexane;propane

1-tert-butyl-3-methylcyclohexane;propane (PubChem CID 177337386) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 1-tert-butyl-3-methylcyclohexane;propane.

Molecular Properties

Compound Name1-tert-butyl-3-methylcyclohexane;propane
PubChem CID177337386
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name1-tert-butyl-3-methylcyclohexane;propane
SMILESCC1CCCC(C(C)(C)C)C1.CCC
InChIInChI=1S/C11H22.C3H8/c1-9-6-5-7-10(8-9)11(2,3)4;1-3-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3
InChIKeyHHDWITAQJOENRU-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane
CID 20647647
1-tert-butyl-3-methylcyclobutane;ethane;propane
CID 143337581
1,3-ditert-butylcyclohexane;sulfane
CID 159387743
1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone
CID 157158322
[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine
CID 81011858
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
1,4-ditert-butylcycloheptane
CID 58579546
bis(tert-butylcyclopentane);cyclopentane;1,2-ditert-butylcyclopentane;propane
CID 162280179
2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol
CID 66038908
(1R)-1,3-dimethylcyclohexane
CID 12594306
1-tert-butyl-3-chlorocyclohexane
CID 13263671
1-methyl-3-[3-(trifluoromethyl)cyclohexyl]cyclohexane
CID 154518401

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylcyclohexane;propane?
The IUPAC name of 1-tert-butyl-3-methylcyclohexane;propane (CID 177337386) is 1-tert-butyl-3-methylcyclohexane;propane.
What is the SMILES notation for 1-tert-butyl-3-methylcyclohexane;propane?
The canonical SMILES for 1-tert-butyl-3-methylcyclohexane;propane is CC1CCCC(C(C)(C)C)C1.CCC.
What is the InChIKey of 1-tert-butyl-3-methylcyclohexane;propane?
The InChIKey is HHDWITAQJOENRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C3H8/c1-9-6-5-7-10(8-9)11(2,3)4;1-3-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3.
What are the key properties of 1-tert-butyl-3-methylcyclohexane;propane?
1-tert-butyl-3-methylcyclohexane;propane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylcyclohexane;propane is sourced from PubChem (CID 177337386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).