1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane

C20H40O — CID 157115340

IUPAC1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane
SMILESCC(C)(C)CC1(C)CC1.CC(C)(C)CC1(C)CCOCC1
InChIInChI=1S/C11H22O.C9H18/c1-10(2,3)9-11(4)5-7-12-8-6-11;1-8(2,3)7-9(4)5-6-9/h5-9H2,1-4H3;5-7H2,1-4H3
InChIKeyAHIGEZYERGZXGJ-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.46
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane

1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane (PubChem CID 157115340) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane
PubChem CID157115340
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane
SMILESCC(C)(C)CC1(C)CC1.CC(C)(C)CC1(C)CCOCC1
InChIInChI=1S/C11H22O.C9H18/c1-10(2,3)9-11(4)5-7-12-8-6-11;1-8(2,3)7-9(4)5-6-9/h5-9H2,1-4H3;5-7H2,1-4H3
InChIKeyAHIGEZYERGZXGJ-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane
CID 162149662
4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
CID 143821353
4-(bromomethyl)-4-methyloxane
CID 64985111
3,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 115893014
CID 58450372
CID 58450372
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498
3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane
CID 165446161
2-(4-methyloxan-4-yl)acetamide
CID 137499101
4,4,6,6-tetramethyl-1,5-oxazocane
CID 59421161
4-(3,3-dimethylbutyl)oxan-4-amine
CID 63220278
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
CID 83817567
4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine
CID 103743092

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane?
The IUPAC name of 1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane (CID 157115340) is 1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane is CC(C)(C)CC1(C)CC1.CC(C)(C)CC1(C)CCOCC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane?
The InChIKey is AHIGEZYERGZXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.C9H18/c1-10(2,3)9-11(4)5-7-12-8-6-11;1-8(2,3)7-9(4)5-6-9/h5-9H2,1-4H3;5-7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane?
1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane has a molecular weight of 296.54 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane is sourced from PubChem (CID 157115340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).