2,2-dimethylpropane;propan-2-ylcyclohexane

C14H30 — CID 159663996

IUPAC2,2-dimethylpropane;propan-2-ylcyclohexane
SMILESCC(C)(C)C.CC(C)C1CCCCC1
InChIInChI=1S/C9H18.C5H12/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)4/h8-9H,3-7H2,1-2H3;1-4H3
InChIKeyMTEAVJUVCBDFPF-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds1

About 2,2-dimethylpropane;propan-2-ylcyclohexane

2,2-dimethylpropane;propan-2-ylcyclohexane (PubChem CID 159663996) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,2-dimethylpropane;propan-2-ylcyclohexane.

Molecular Properties

Compound Name2,2-dimethylpropane;propan-2-ylcyclohexane
PubChem CID159663996
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,2-dimethylpropane;propan-2-ylcyclohexane
SMILESCC(C)(C)C.CC(C)C1CCCCC1
InChIInChI=1S/C9H18.C5H12/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)4/h8-9H,3-7H2,1-2H3;1-4H3
InChIKeyMTEAVJUVCBDFPF-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

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carbanide;iron(2+);bis(propan-2-ylcyclopentane)
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ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
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1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
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1-cyclopentylethylcyclohexane
CID 57034702
(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane
CID 546182
cyclobutane;cyclopentane;cyclopropane;bis(2,2-dimethylpropane);2-methylpropane
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1-chloro-3-propan-2-ylcyclononane
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;propan-2-ylcyclohexane?
The IUPAC name of 2,2-dimethylpropane;propan-2-ylcyclohexane (CID 159663996) is 2,2-dimethylpropane;propan-2-ylcyclohexane.
What is the SMILES notation for 2,2-dimethylpropane;propan-2-ylcyclohexane?
The canonical SMILES for 2,2-dimethylpropane;propan-2-ylcyclohexane is CC(C)(C)C.CC(C)C1CCCCC1.
What is the InChIKey of 2,2-dimethylpropane;propan-2-ylcyclohexane?
The InChIKey is MTEAVJUVCBDFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C5H12/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)4/h8-9H,3-7H2,1-2H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;propan-2-ylcyclohexane?
2,2-dimethylpropane;propan-2-ylcyclohexane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;propan-2-ylcyclohexane is sourced from PubChem (CID 159663996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).