1-butan-2-yl-1-(2-methylbutyl)cyclopropane

C12H24 — CID 545774

IUPAC1-butan-2-yl-1-(2-methylbutyl)cyclopropane
SMILESCCC(C)CC1(C(C)CC)CC1
InChIInChI=1S/C12H24/c1-5-10(3)9-12(7-8-12)11(4)6-2/h10-11H,5-9H2,1-4H3
InChIKeyPVCNLNDLSZWNMM-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds5

About 1-butan-2-yl-1-(2-methylbutyl)cyclopropane

1-butan-2-yl-1-(2-methylbutyl)cyclopropane (PubChem CID 545774) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-butan-2-yl-1-(2-methylbutyl)cyclopropane.

Molecular Properties

Compound Name1-butan-2-yl-1-(2-methylbutyl)cyclopropane
PubChem CID545774
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-butan-2-yl-1-(2-methylbutyl)cyclopropane
SMILESCCC(C)CC1(C(C)CC)CC1
InChIInChI=1S/C12H24/c1-5-10(3)9-12(7-8-12)11(4)6-2/h10-11H,5-9H2,1-4H3
InChIKeyPVCNLNDLSZWNMM-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1-(2-methylbutyl)cyclopropane?
The IUPAC name of 1-butan-2-yl-1-(2-methylbutyl)cyclopropane (CID 545774) is 1-butan-2-yl-1-(2-methylbutyl)cyclopropane.
What is the SMILES notation for 1-butan-2-yl-1-(2-methylbutyl)cyclopropane?
The canonical SMILES for 1-butan-2-yl-1-(2-methylbutyl)cyclopropane is CCC(C)CC1(C(C)CC)CC1.
What is the InChIKey of 1-butan-2-yl-1-(2-methylbutyl)cyclopropane?
The InChIKey is PVCNLNDLSZWNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-10(3)9-12(7-8-12)11(4)6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-butan-2-yl-1-(2-methylbutyl)cyclopropane?
1-butan-2-yl-1-(2-methylbutyl)cyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1-(2-methylbutyl)cyclopropane is sourced from PubChem (CID 545774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).