2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)

C21H48 — CID 144526650

IUPAC2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)
SMILESCC.CC(C)(C)CC1CCC1.CCC(C)C.CCC(C)C
InChIInChI=1S/C9H18.2C5H12.C2H6/c1-9(2,3)7-8-5-4-6-8;2*1-4-5(2)3;1-2/h8H,4-7H2,1-3H3;2*5H,4H2,1-3H3;1-2H3
InChIKeyJCHPHVACXDLQQJ-UHFFFAOYSA-N
MW300.62 g/mol
LogP8.35
Rot. Bonds3

About 2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)

2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane) (PubChem CID 144526650) has the molecular formula C21H48 and a molecular weight of 300.62 g/mol. Its IUPAC name is 2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane).

Molecular Properties

Compound Name2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)
PubChem CID144526650
Molecular FormulaC21H48
Molecular Weight300.62 g/mol
Exact Mass300.38
IUPAC Name2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)
SMILESCC.CC(C)(C)CC1CCC1.CCC(C)C.CCC(C)C
InChIInChI=1S/C9H18.2C5H12.C2H6/c1-9(2,3)7-8-5-4-6-8;2*1-4-5(2)3;1-2/h8H,4-7H2,1-3H3;2*5H,4H2,1-3H3;1-2H3
InChIKeyJCHPHVACXDLQQJ-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
(2-ethyl-2,3-dimethylbutyl)cyclobutane
CID 123708911
tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane
CID 160715730
2-methylbutane;methylcyclobutane
CID 57473841
1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine
CID 70927505
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
2-cyclohexylethanol;formic acid;2-methylbutane
CID 144561300
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
bicyclo[1.1.0]butane;ethane;2-methylbutane
CID 142057154
butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane
CID 162066878
1-ethyl-4-(3-methylbutyl)cycloheptane
CID 123171853

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)?
The IUPAC name of 2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane) (CID 144526650) is 2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane).
What is the SMILES notation for 2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)?
The canonical SMILES for 2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane) is CC.CC(C)(C)CC1CCC1.CCC(C)C.CCC(C)C.
What is the InChIKey of 2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)?
The InChIKey is JCHPHVACXDLQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.2C5H12.C2H6/c1-9(2,3)7-8-5-4-6-8;2*1-4-5(2)3;1-2/h8H,4-7H2,1-3H3;2*5H,4H2,1-3H3;1-2H3.
What are the key properties of 2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)?
2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane) has a molecular weight of 300.62 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane) is sourced from PubChem (CID 144526650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).