1-(6,6-dimethylheptyl)-1-methylcyclopropane

C13H26 — CID 123317672

IUPAC1-(6,6-dimethylheptyl)-1-methylcyclopropane
SMILESCC(C)(C)CCCCCC1(C)CC1
InChIInChI=1S/C13H26/c1-12(2,3)8-6-5-7-9-13(4)10-11-13/h5-11H2,1-4H3
InChIKeyUYMGHMCOIRXPNH-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds5

About 1-(6,6-dimethylheptyl)-1-methylcyclopropane

1-(6,6-dimethylheptyl)-1-methylcyclopropane (PubChem CID 123317672) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-(6,6-dimethylheptyl)-1-methylcyclopropane.

Molecular Properties

Compound Name1-(6,6-dimethylheptyl)-1-methylcyclopropane
PubChem CID123317672
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-(6,6-dimethylheptyl)-1-methylcyclopropane
SMILESCC(C)(C)CCCCCC1(C)CC1
InChIInChI=1S/C13H26/c1-12(2,3)8-6-5-7-9-13(4)10-11-13/h5-11H2,1-4H3
InChIKeyUYMGHMCOIRXPNH-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethylheptyl)-1-methylcyclopropane?
The IUPAC name of 1-(6,6-dimethylheptyl)-1-methylcyclopropane (CID 123317672) is 1-(6,6-dimethylheptyl)-1-methylcyclopropane.
What is the SMILES notation for 1-(6,6-dimethylheptyl)-1-methylcyclopropane?
The canonical SMILES for 1-(6,6-dimethylheptyl)-1-methylcyclopropane is CC(C)(C)CCCCCC1(C)CC1.
What is the InChIKey of 1-(6,6-dimethylheptyl)-1-methylcyclopropane?
The InChIKey is UYMGHMCOIRXPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-12(2,3)8-6-5-7-9-13(4)10-11-13/h5-11H2,1-4H3.
What are the key properties of 1-(6,6-dimethylheptyl)-1-methylcyclopropane?
1-(6,6-dimethylheptyl)-1-methylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethylheptyl)-1-methylcyclopropane is sourced from PubChem (CID 123317672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).