tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane

C13H28O — CID 161123369

IUPACtert-butylcyclopropane;1-methoxy-2,2-dimethylpropane
SMILESCC(C)(C)C1CC1.COCC(C)(C)C
InChIInChI=1S/C7H14.C6H14O/c1-7(2,3)6-4-5-6;1-6(2,3)5-7-4/h6H,4-5H2,1-3H3;5H2,1-4H3
InChIKeyULFVDXXCQWFSBZ-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.12
Rot. Bonds1

About tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane

tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane (PubChem CID 161123369) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane.

Molecular Properties

Compound Nametert-butylcyclopropane;1-methoxy-2,2-dimethylpropane
PubChem CID161123369
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Nametert-butylcyclopropane;1-methoxy-2,2-dimethylpropane
SMILESCC(C)(C)C1CC1.COCC(C)(C)C
InChIInChI=1S/C7H14.C6H14O/c1-7(2,3)6-4-5-6;1-6(2,3)5-7-4/h6H,4-5H2,1-3H3;5H2,1-4H3
InChIKeyULFVDXXCQWFSBZ-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-2,2-dimethylpropane
CID 160639316
1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane
CID 174162255
1-methoxy-2,2-dimethylpropane;molecular hydrogen
CID 167547709
magnesium;1-methoxy-2,2-dimethylpropane;dichloride
CID 175512317
1-tert-butyl-3-(2,2-dimethylpropoxy)cyclopentane
CID 168850108
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
1,4-ditert-butylcycloheptane
CID 58579546
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573
1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
(1,3-dimethoxy-2-methylpropan-2-yl)cyclopentane
CID 89106500
(4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium
CID 7014294
N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane?
The IUPAC name of tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane (CID 161123369) is tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane.
What is the SMILES notation for tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane?
The canonical SMILES for tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane is CC(C)(C)C1CC1.COCC(C)(C)C.
What is the InChIKey of tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane?
The InChIKey is ULFVDXXCQWFSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H14O/c1-7(2,3)6-4-5-6;1-6(2,3)5-7-4/h6H,4-5H2,1-3H3;5H2,1-4H3.
What are the key properties of tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane?
tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane has a molecular weight of 200.37 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane is sourced from PubChem (CID 161123369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).