4,4-dimethylhexan-3-ylcyclohexane;methane

C15H32 — CID 170707005

IUPAC4,4-dimethylhexan-3-ylcyclohexane;methane
SMILESC.CCC(C1CCCCC1)C(C)(C)CC
InChIInChI=1S/C14H28.CH4/c1-5-13(14(3,4)6-2)12-10-8-7-9-11-12;/h12-13H,5-11H2,1-4H3;1H4
InChIKeyCBUWLMAAOLCIHV-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds4

About 4,4-dimethylhexan-3-ylcyclohexane;methane

4,4-dimethylhexan-3-ylcyclohexane;methane (PubChem CID 170707005) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 4,4-dimethylhexan-3-ylcyclohexane;methane.

Molecular Properties

Compound Name4,4-dimethylhexan-3-ylcyclohexane;methane
PubChem CID170707005
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name4,4-dimethylhexan-3-ylcyclohexane;methane
SMILESC.CCC(C1CCCCC1)C(C)(C)CC
InChIInChI=1S/C14H28.CH4/c1-5-13(14(3,4)6-2)12-10-8-7-9-11-12;/h12-13H,5-11H2,1-4H3;1H4
InChIKeyCBUWLMAAOLCIHV-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-cyclobutyl-2-methylpentan-2-amine
CID 137411422
1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
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(1-chloro-3,3-dimethylbutan-2-yl)cycloheptane
CID 83142657
(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane
CID 546182
butan-2-ylcyclohexadecane
CID 123713671
ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850
1,1,2-tricyclohexylbutoxyboronic acid
CID 67766211
cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate
CID 173470117
silyl 2,3-dicyclopentyl-2-ethylpentanoate
CID 173470022
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
butan-2-ylcyclohexane;ethane
CID 143005290
1-fluoropropylcyclohexane
CID 175482470

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylhexan-3-ylcyclohexane;methane?
The IUPAC name of 4,4-dimethylhexan-3-ylcyclohexane;methane (CID 170707005) is 4,4-dimethylhexan-3-ylcyclohexane;methane.
What is the SMILES notation for 4,4-dimethylhexan-3-ylcyclohexane;methane?
The canonical SMILES for 4,4-dimethylhexan-3-ylcyclohexane;methane is C.CCC(C1CCCCC1)C(C)(C)CC.
What is the InChIKey of 4,4-dimethylhexan-3-ylcyclohexane;methane?
The InChIKey is CBUWLMAAOLCIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.CH4/c1-5-13(14(3,4)6-2)12-10-8-7-9-11-12;/h12-13H,5-11H2,1-4H3;1H4.
What are the key properties of 4,4-dimethylhexan-3-ylcyclohexane;methane?
4,4-dimethylhexan-3-ylcyclohexane;methane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylhexan-3-ylcyclohexane;methane is sourced from PubChem (CID 170707005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).