1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane

C12H24 — CID 12600021

IUPAC1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane
SMILESCC(C)C1(C(C)(C)C)CC1(C)C
InChIInChI=1S/C12H24/c1-9(2)12(10(3,4)5)8-11(12,6)7/h9H,8H2,1-7H3
InChIKeyMAKLTCZYOYEVLY-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds1

About 1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane

1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane (PubChem CID 12600021) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane
PubChem CID12600021
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane
SMILESCC(C)C1(C(C)(C)C)CC1(C)C
InChIInChI=1S/C12H24/c1-9(2)12(10(3,4)5)8-11(12,6)7/h9H,8H2,1-7H3
InChIKeyMAKLTCZYOYEVLY-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane
CID 58860913
1-tert-butyl-2,2-dimethyl-3-propan-2-ylbicyclo[1.1.0]butane
CID 91436034
2-tert-butyl-1,1,2-trimethyl-3-propan-2-ylcyclobutane
CID 123668668
(4S)-4-tert-butyl-1,1,2,2,3,4-hexamethylcyclopentane;ethane
CID 162284254
1-methyl-3-propan-2-ylbicyclo[1.1.0]butane
CID 123793807
cyclobutane;cyclopentane;cyclopropane;bis(2,2-dimethylpropane);2-methylpropane
CID 157236678
1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
1,5-ditert-butyl-2,2,4,4-tetramethyl-6,7-dithiabicyclo[3.1.1]heptane
CID 15307557
3-tert-butyl-2-(2,3-dimethylbutan-2-yl)-1,1,2,3,4-pentamethyl-4-(2,3,3-trimethylbutan-2-yl)cyclopentane
CID 91314915
1-tert-butyl-1-methyl-2,4-di(propan-2-yl)cyclobutane
CID 91279351
1,3,5,7-tetra(propan-2-yl)adamantane
CID 11381171
3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane
CID 162285091

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane?
The IUPAC name of 1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane (CID 12600021) is 1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane.
What is the SMILES notation for 1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane?
The canonical SMILES for 1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane is CC(C)C1(C(C)(C)C)CC1(C)C.
What is the InChIKey of 1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane?
The InChIKey is MAKLTCZYOYEVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-9(2)12(10(3,4)5)8-11(12,6)7/h9H,8H2,1-7H3.
What are the key properties of 1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane?
1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane is sourced from PubChem (CID 12600021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).