1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane

C13H24 — CID 143264117

IUPAC1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane
SMILESC=C(CC)CCC1CC1(C)CCC
InChIInChI=1S/C13H24/c1-5-9-13(4)10-12(13)8-7-11(3)6-2/h12H,3,5-10H2,1-2,4H3
InChIKeyPYYNDFKTMONMQU-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds6

About 1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane

1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane (PubChem CID 143264117) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane.

Molecular Properties

Compound Name1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane
PubChem CID143264117
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane
SMILESC=C(CC)CCC1CC1(C)CCC
InChIInChI=1S/C13H24/c1-5-9-13(4)10-12(13)8-7-11(3)6-2/h12H,3,5-10H2,1-2,4H3
InChIKeyPYYNDFKTMONMQU-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
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-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane?
The IUPAC name of 1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane (CID 143264117) is 1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane.
What is the SMILES notation for 1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane?
The canonical SMILES for 1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane is C=C(CC)CCC1CC1(C)CCC.
What is the InChIKey of 1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane?
The InChIKey is PYYNDFKTMONMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-9-13(4)10-12(13)8-7-11(3)6-2/h12H,3,5-10H2,1-2,4H3.
What are the key properties of 1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane?
1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane has a molecular weight of 180.33 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane is sourced from PubChem (CID 143264117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).