(4-cyclopropyl-2-methylpentan-2-yl)cyclopropane

C12H22 — CID 90927036

IUPAC(4-cyclopropyl-2-methylpentan-2-yl)cyclopropane
SMILESCC(CC(C)(C)C1CC1)C1CC1
InChIInChI=1S/C12H22/c1-9(10-4-5-10)8-12(2,3)11-6-7-11/h9-11H,4-8H2,1-3H3
InChIKeyATJOOAJZCRVBAC-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds4

About (4-cyclopropyl-2-methylpentan-2-yl)cyclopropane

(4-cyclopropyl-2-methylpentan-2-yl)cyclopropane (PubChem CID 90927036) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (4-cyclopropyl-2-methylpentan-2-yl)cyclopropane.

Molecular Properties

Compound Name(4-cyclopropyl-2-methylpentan-2-yl)cyclopropane
PubChem CID90927036
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(4-cyclopropyl-2-methylpentan-2-yl)cyclopropane
SMILESCC(CC(C)(C)C1CC1)C1CC1
InChIInChI=1S/C12H22/c1-9(10-4-5-10)8-12(2,3)11-6-7-11/h9-11H,4-8H2,1-3H3
InChIKeyATJOOAJZCRVBAC-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-methylpentan-2-yl)cyclopropane?
The IUPAC name of (4-cyclopropyl-2-methylpentan-2-yl)cyclopropane (CID 90927036) is (4-cyclopropyl-2-methylpentan-2-yl)cyclopropane.
What is the SMILES notation for (4-cyclopropyl-2-methylpentan-2-yl)cyclopropane?
The canonical SMILES for (4-cyclopropyl-2-methylpentan-2-yl)cyclopropane is CC(CC(C)(C)C1CC1)C1CC1.
What is the InChIKey of (4-cyclopropyl-2-methylpentan-2-yl)cyclopropane?
The InChIKey is ATJOOAJZCRVBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9(10-4-5-10)8-12(2,3)11-6-7-11/h9-11H,4-8H2,1-3H3.
What are the key properties of (4-cyclopropyl-2-methylpentan-2-yl)cyclopropane?
(4-cyclopropyl-2-methylpentan-2-yl)cyclopropane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-methylpentan-2-yl)cyclopropane is sourced from PubChem (CID 90927036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).