cyclopentane;1,3-dioxane;ethane

C17H42O2 — CID 159634844

IUPACcyclopentane;1,3-dioxane;ethane
SMILESC1CCCC1.C1COCOC1.CC.CC.CC.CC
InChIInChI=1S/C5H10.C4H8O2.4C2H6/c1-2-4-5-3-1;1-2-5-4-6-3-1;4*1-2/h1-5H2;1-4H2;4*1-2H3
InChIKeyMPPKJLPPPJPNNH-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.44
Rot. Bonds

About cyclopentane;1,3-dioxane;ethane

cyclopentane;1,3-dioxane;ethane (PubChem CID 159634844) has the molecular formula C17H42O2 and a molecular weight of 278.52 g/mol. Its IUPAC name is cyclopentane;1,3-dioxane;ethane.

Molecular Properties

Compound Namecyclopentane;1,3-dioxane;ethane
PubChem CID159634844
Molecular FormulaC17H42O2
Molecular Weight278.52 g/mol
Exact Mass278.32
IUPAC Namecyclopentane;1,3-dioxane;ethane
SMILESC1CCCC1.C1COCOC1.CC.CC.CC.CC
InChIInChI=1S/C5H10.C4H8O2.4C2H6/c1-2-4-5-3-1;1-2-5-4-6-3-1;4*1-2/h1-5H2;1-4H2;4*1-2H3
InChIKeyMPPKJLPPPJPNNH-UHFFFAOYSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dioxacycloheptadecane
CID 54126867
1,3,5,7-tetraoxecane
CID 172810218
1,3-dioxolane;ethane
CID 91327375
1,3-dioxolane;ethane
CID 90816519
1,3-dioxane;formaldehyde
CID 143804327
1,3,6-trioxacyclohexadecane
CID 139860202
1,3-dioxolane;oxolane
CID 23437621
1,3-dioxane;2-methyl-1,3-dioxane
CID 160690927
cyclohexanone;1,3-dioxane
CID 158971255
cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane
CID 157109520
1,3,6,8-tetraoxecane
CID 19993864
acetyl acetate;1,3-dioxane
CID 174949221

Frequently Asked Questions

What is the IUPAC name of cyclopentane;1,3-dioxane;ethane?
The IUPAC name of cyclopentane;1,3-dioxane;ethane (CID 159634844) is cyclopentane;1,3-dioxane;ethane.
What is the SMILES notation for cyclopentane;1,3-dioxane;ethane?
The canonical SMILES for cyclopentane;1,3-dioxane;ethane is C1CCCC1.C1COCOC1.CC.CC.CC.CC.
What is the InChIKey of cyclopentane;1,3-dioxane;ethane?
The InChIKey is MPPKJLPPPJPNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H8O2.4C2H6/c1-2-4-5-3-1;1-2-5-4-6-3-1;4*1-2/h1-5H2;1-4H2;4*1-2H3.
What are the key properties of cyclopentane;1,3-dioxane;ethane?
cyclopentane;1,3-dioxane;ethane has a molecular weight of 278.52 g/mol, XLogP of 6.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1,3-dioxane;ethane is sourced from PubChem (CID 159634844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).