cyclopropane;1,1-diethoxyethane

C9H20O2 — CID 67020569

IUPACcyclopropane;1,1-diethoxyethane
SMILESC1CC1.CCOC(C)OCC
InChIInChI=1S/C6H14O2.C3H6/c1-4-7-6(3)8-5-2;1-2-3-1/h6H,4-5H2,1-3H3;1-3H2
InChIKeyOGOQYFGGPJEKHC-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.58
Rot. Bonds4

About cyclopropane;1,1-diethoxyethane

cyclopropane;1,1-diethoxyethane (PubChem CID 67020569) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is cyclopropane;1,1-diethoxyethane.

Molecular Properties

Compound Namecyclopropane;1,1-diethoxyethane
PubChem CID67020569
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Namecyclopropane;1,1-diethoxyethane
SMILESC1CC1.CCOC(C)OCC
InChIInChI=1S/C6H14O2.C3H6/c1-4-7-6(3)8-5-2;1-2-3-1/h6H,4-5H2,1-3H3;1-3H2
InChIKeyOGOQYFGGPJEKHC-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.58
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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Related Compounds

1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
2-bromopropanal;cyclopropane;1,1-diethoxyethane
CID 87882353
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
carbonic acid;1,1-diethoxyethane
CID 87827362
cyclopropane;diethoxymethanamine
CID 67531002
2-cyclohexylpropanal;1,1-diethoxyethane;ethene
CID 88595952
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704

Frequently Asked Questions

What is the IUPAC name of cyclopropane;1,1-diethoxyethane?
The IUPAC name of cyclopropane;1,1-diethoxyethane (CID 67020569) is cyclopropane;1,1-diethoxyethane.
What is the SMILES notation for cyclopropane;1,1-diethoxyethane?
The canonical SMILES for cyclopropane;1,1-diethoxyethane is C1CC1.CCOC(C)OCC.
What is the InChIKey of cyclopropane;1,1-diethoxyethane?
The InChIKey is OGOQYFGGPJEKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C3H6/c1-4-7-6(3)8-5-2;1-2-3-1/h6H,4-5H2,1-3H3;1-3H2.
What are the key properties of cyclopropane;1,1-diethoxyethane?
cyclopropane;1,1-diethoxyethane has a molecular weight of 160.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;1,1-diethoxyethane is sourced from PubChem (CID 67020569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).