2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane

C15H30O2 — CID 70124161

IUPAC2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane
SMILESCCOC(CC(C)CCC1CC1(C)C)OCC
InChIInChI=1S/C15H30O2/c1-6-16-14(17-7-2)10-12(3)8-9-13-11-15(13,4)5/h12-14H,6-11H2,1-5H3
InChIKeyLFNZBRGKFCSFHT-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.24
Rot. Bonds9

About 2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane

2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane (PubChem CID 70124161) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane
PubChem CID70124161
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane
SMILESCCOC(CC(C)CCC1CC1(C)C)OCC
InChIInChI=1S/C15H30O2/c1-6-16-14(17-7-2)10-12(3)8-9-13-11-15(13,4)5/h12-14H,6-11H2,1-5H3
InChIKeyLFNZBRGKFCSFHT-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane (CID 70124161) is 2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane is CCOC(CC(C)CCC1CC1(C)C)OCC.
What is the InChIKey of 2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane?
The InChIKey is LFNZBRGKFCSFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-16-14(17-7-2)10-12(3)8-9-13-11-15(13,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane?
2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane has a molecular weight of 242.40 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 70124161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).