2,2-diethoxyethylcyclopentane

C11H22O2 — CID 13163942

IUPAC2,2-diethoxyethylcyclopentane
SMILESCCOC(CC1CCCC1)OCC
InChIInChI=1S/C11H22O2/c1-3-12-11(13-4-2)9-10-7-5-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeyHYMHSLGTJPRJKC-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.97
Rot. Bonds6

About 2,2-diethoxyethylcyclopentane

2,2-diethoxyethylcyclopentane (PubChem CID 13163942) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2,2-diethoxyethylcyclopentane.

Molecular Properties

Compound Name2,2-diethoxyethylcyclopentane
PubChem CID13163942
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2,2-diethoxyethylcyclopentane
SMILESCCOC(CC1CCCC1)OCC
InChIInChI=1S/C11H22O2/c1-3-12-11(13-4-2)9-10-7-5-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeyHYMHSLGTJPRJKC-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.97
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 2,2-diethoxyethylcyclopentane?
The IUPAC name of 2,2-diethoxyethylcyclopentane (CID 13163942) is 2,2-diethoxyethylcyclopentane.
What is the SMILES notation for 2,2-diethoxyethylcyclopentane?
The canonical SMILES for 2,2-diethoxyethylcyclopentane is CCOC(CC1CCCC1)OCC.
What is the InChIKey of 2,2-diethoxyethylcyclopentane?
The InChIKey is HYMHSLGTJPRJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-12-11(13-4-2)9-10-7-5-6-8-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2,2-diethoxyethylcyclopentane?
2,2-diethoxyethylcyclopentane has a molecular weight of 186.29 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethylcyclopentane is sourced from PubChem (CID 13163942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).