2,2-dimethylpropane;2,2-dimethylpropylcyclobutane

C14H30 — CID 167591215

IUPAC2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
SMILESCC(C)(C)C.CC(C)(C)CC1CCC1
InChIInChI=1S/C9H18.C5H12/c1-9(2,3)7-8-5-4-6-8;1-5(2,3)4/h8H,4-7H2,1-3H3;1-4H3
InChIKeyILONOIADSYWMBK-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds1

About 2,2-dimethylpropane;2,2-dimethylpropylcyclobutane

2,2-dimethylpropane;2,2-dimethylpropylcyclobutane (PubChem CID 167591215) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,2-dimethylpropane;2,2-dimethylpropylcyclobutane.

Molecular Properties

Compound Name2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
PubChem CID167591215
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
SMILESCC(C)(C)C.CC(C)(C)CC1CCC1
InChIInChI=1S/C9H18.C5H12/c1-9(2,3)7-8-5-4-6-8;1-5(2,3)4/h8H,4-7H2,1-3H3;1-4H3
InChIKeyILONOIADSYWMBK-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

tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane
CID 160715730
2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)
CID 144526650
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2,2-dimethylpropylcyclobutane;2,2-dimethylpropylcyclohexane;2,2-dimethylpropylcyclopentane;2,2-dimethylpropylcyclopropane
CID 161188745
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558
1-cyclopentyl-2-methylpropan-2-ol
CID 18424051
6-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane
CID 140612172
1,4-bis(2,2-dimethylpropyl)cyclohexane;2,2,7,7-tetramethyloctane
CID 160533603
3-(2,2-dimethylpropyl)spiro[5.5]undecane
CID 140695301
3-(2,2-dimethylpropyl)piperidine
CID 21041533
1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine
CID 70927498
(2-ethyl-2,3-dimethylbutyl)cyclobutane
CID 123708911
2-(2,2-dimethylpropyl)-6-methyloxane
CID 163432444

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2,2-dimethylpropylcyclobutane?
The IUPAC name of 2,2-dimethylpropane;2,2-dimethylpropylcyclobutane (CID 167591215) is 2,2-dimethylpropane;2,2-dimethylpropylcyclobutane.
What is the SMILES notation for 2,2-dimethylpropane;2,2-dimethylpropylcyclobutane?
The canonical SMILES for 2,2-dimethylpropane;2,2-dimethylpropylcyclobutane is CC(C)(C)C.CC(C)(C)CC1CCC1.
What is the InChIKey of 2,2-dimethylpropane;2,2-dimethylpropylcyclobutane?
The InChIKey is ILONOIADSYWMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C5H12/c1-9(2,3)7-8-5-4-6-8;1-5(2,3)4/h8H,4-7H2,1-3H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;2,2-dimethylpropylcyclobutane?
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane 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;2,2-dimethylpropylcyclobutane is sourced from PubChem (CID 167591215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).