1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane

C13H24 — CID 134979201

IUPAC1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane
SMILESC=C(C)C(CCC(C)C)C1(C)CC1
InChIInChI=1S/C13H24/c1-10(2)6-7-12(11(3)4)13(5)8-9-13/h10,12H,3,6-9H2,1-2,4-5H3
InChIKeyNAZHJSIUZWYLSJ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds5

About 1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane

1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane (PubChem CID 134979201) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane.

Molecular Properties

Compound Name1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane
PubChem CID134979201
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane
SMILESC=C(C)C(CCC(C)C)C1(C)CC1
InChIInChI=1S/C13H24/c1-10(2)6-7-12(11(3)4)13(5)8-9-13/h10,12H,3,6-9H2,1-2,4-5H3
InChIKeyNAZHJSIUZWYLSJ-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
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-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane?
The IUPAC name of 1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane (CID 134979201) is 1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane.
What is the SMILES notation for 1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane?
The canonical SMILES for 1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane is C=C(C)C(CCC(C)C)C1(C)CC1.
What is the InChIKey of 1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane?
The InChIKey is NAZHJSIUZWYLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-10(2)6-7-12(11(3)4)13(5)8-9-13/h10,12H,3,6-9H2,1-2,4-5H3.
What are the key properties of 1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane?
1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane has a molecular weight of 180.33 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylhept-1-en-3-yl)-1-methylcyclopropane is sourced from PubChem (CID 134979201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).