1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane

C11H20 — CID 123839350

IUPAC1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane
SMILESCC=C1C(C)C1(C)C(C)CC
InChIInChI=1S/C11H20/c1-6-8(3)11(5)9(4)10(11)7-2/h7-9H,6H2,1-5H3
InChIKeyOLCQJUXGZULJFO-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.63
Rot. Bonds2

About 1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane

1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane (PubChem CID 123839350) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane.

Molecular Properties

Compound Name1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane
PubChem CID123839350
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane
SMILESCC=C1C(C)C1(C)C(C)CC
InChIInChI=1S/C11H20/c1-6-8(3)11(5)9(4)10(11)7-2/h7-9H,6H2,1-5H3
InChIKeyOLCQJUXGZULJFO-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane?
The IUPAC name of 1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane (CID 123839350) is 1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane.
What is the SMILES notation for 1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane?
The canonical SMILES for 1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane is CC=C1C(C)C1(C)C(C)CC.
What is the InChIKey of 1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane?
The InChIKey is OLCQJUXGZULJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-6-8(3)11(5)9(4)10(11)7-2/h7-9H,6H2,1-5H3.
What are the key properties of 1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane?
1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane has a molecular weight of 152.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane is sourced from PubChem (CID 123839350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).