1,2-ditert-butyl-1-methylcyclopropane

C12H24 — CID 58388728

IUPAC1,2-ditert-butyl-1-methylcyclopropane
SMILESCC(C)(C)C1CC1(C)C(C)(C)C
InChIInChI=1S/C12H24/c1-10(2,3)9-8-12(9,7)11(4,5)6/h9H,8H2,1-7H3
InChIKeyIXKQGIGTPXOSCY-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds

About 1,2-ditert-butyl-1-methylcyclopropane

1,2-ditert-butyl-1-methylcyclopropane (PubChem CID 58388728) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,2-ditert-butyl-1-methylcyclopropane.

Molecular Properties

Compound Name1,2-ditert-butyl-1-methylcyclopropane
PubChem CID58388728
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,2-ditert-butyl-1-methylcyclopropane
SMILESCC(C)(C)C1CC1(C)C(C)(C)C
InChIInChI=1S/C12H24/c1-10(2,3)9-8-12(9,7)11(4,5)6/h9H,8H2,1-7H3
InChIKeyIXKQGIGTPXOSCY-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-1-methylcyclopropane?
The IUPAC name of 1,2-ditert-butyl-1-methylcyclopropane (CID 58388728) is 1,2-ditert-butyl-1-methylcyclopropane.
What is the SMILES notation for 1,2-ditert-butyl-1-methylcyclopropane?
The canonical SMILES for 1,2-ditert-butyl-1-methylcyclopropane is CC(C)(C)C1CC1(C)C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-1-methylcyclopropane?
The InChIKey is IXKQGIGTPXOSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-10(2,3)9-8-12(9,7)11(4,5)6/h9H,8H2,1-7H3.
What are the key properties of 1,2-ditert-butyl-1-methylcyclopropane?
1,2-ditert-butyl-1-methylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-1-methylcyclopropane is sourced from PubChem (CID 58388728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).