1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane

C16H28 — CID 91377563

IUPAC1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane
SMILESC=CCC1(CCC)CC1CCC1(C)CC1C
InChIInChI=1S/C16H28/c1-5-8-16(9-6-2)12-14(16)7-10-15(4)11-13(15)3/h5,13-14H,1,6-12H2,2-4H3
InChIKeyHUQRMJOJSVRJNT-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.20
Rot. Bonds7

About 1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane

1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane (PubChem CID 91377563) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane.

Molecular Properties

Compound Name1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane
PubChem CID91377563
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane
SMILESC=CCC1(CCC)CC1CCC1(C)CC1C
InChIInChI=1S/C16H28/c1-5-8-16(9-6-2)12-14(16)7-10-15(4)11-13(15)3/h5,13-14H,1,6-12H2,2-4H3
InChIKeyHUQRMJOJSVRJNT-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.20
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 1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane?
The IUPAC name of 1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane (CID 91377563) is 1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane.
What is the SMILES notation for 1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane?
The canonical SMILES for 1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane is C=CCC1(CCC)CC1CCC1(C)CC1C.
What is the InChIKey of 1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane?
The InChIKey is HUQRMJOJSVRJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-5-8-16(9-6-2)12-14(16)7-10-15(4)11-13(15)3/h5,13-14H,1,6-12H2,2-4H3.
What are the key properties of 1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane?
1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane has a molecular weight of 220.40 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane is sourced from PubChem (CID 91377563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).