2-cyclopropylpentan-2-ylcyclobutane

C12H22 — CID 173163252

IUPAC2-cyclopropylpentan-2-ylcyclobutane
SMILESCCCC(C)(C1CCC1)C1CC1
InChIInChI=1S/C12H22/c1-3-9-12(2,11-7-8-11)10-5-4-6-10/h10-11H,3-9H2,1-2H3
InChIKeyHBDXSZYOPVIFLV-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds4

About 2-cyclopropylpentan-2-ylcyclobutane

2-cyclopropylpentan-2-ylcyclobutane (PubChem CID 173163252) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-cyclopropylpentan-2-ylcyclobutane.

Molecular Properties

Compound Name2-cyclopropylpentan-2-ylcyclobutane
PubChem CID173163252
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-cyclopropylpentan-2-ylcyclobutane
SMILESCCCC(C)(C1CCC1)C1CC1
InChIInChI=1S/C12H22/c1-3-9-12(2,11-7-8-11)10-5-4-6-10/h10-11H,3-9H2,1-2H3
InChIKeyHBDXSZYOPVIFLV-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 139825054
2-cyclohexylpentan-2-ol
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1,1-bis(tert-butylperoxy)butylcyclohexane
CID 154350036
1,4-ditert-butylcycloheptane
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2-cyclohexyl-2-cyclopropylpropan-1-amine
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2-cyclopropyl-2-methylpentan-1-ol
CID 83151600
4-cycloheptylheptan-4-ol
CID 114866126
1-cyclohexylbutane-1,1-dithiol
CID 175490889
1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylpentan-2-ylcyclobutane?
The IUPAC name of 2-cyclopropylpentan-2-ylcyclobutane (CID 173163252) is 2-cyclopropylpentan-2-ylcyclobutane.
What is the SMILES notation for 2-cyclopropylpentan-2-ylcyclobutane?
The canonical SMILES for 2-cyclopropylpentan-2-ylcyclobutane is CCCC(C)(C1CCC1)C1CC1.
What is the InChIKey of 2-cyclopropylpentan-2-ylcyclobutane?
The InChIKey is HBDXSZYOPVIFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-9-12(2,11-7-8-11)10-5-4-6-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropylpentan-2-ylcyclobutane?
2-cyclopropylpentan-2-ylcyclobutane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpentan-2-ylcyclobutane is sourced from PubChem (CID 173163252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).