oxolane;oxonane

C12H24O2 — CID 159283889

IUPACoxolane;oxonane
SMILESC1CCCCOCCC1.C1CCOC1
InChIInChI=1S/C8H16O.C4H8O/c1-2-4-6-8-9-7-5-3-1;1-2-4-5-3-1/h1-8H2;1-4H2
InChIKeyKZGMFFXQQWHUDP-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.15
Rot. Bonds

About oxolane;oxonane

oxolane;oxonane (PubChem CID 159283889) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is oxolane;oxonane.

Molecular Properties

Compound Nameoxolane;oxonane
PubChem CID159283889
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nameoxolane;oxonane
SMILESC1CCCCOCCC1.C1CCOC1
InChIInChI=1S/C8H16O.C4H8O/c1-2-4-6-8-9-7-5-3-1;1-2-4-5-3-1/h1-8H2;1-4H2
InChIKeyKZGMFFXQQWHUDP-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
1,4,7-trioxacyclotridecane
CID 118017817
oxacyclotetradecane;dihydrate
CID 173194889
λ2-plumbane;oxane
CID 173444965
oxane;selane
CID 173094887
oxane dichloride
CID 19601825
oxane;zinc
CID 66716277

Frequently Asked Questions

What is the IUPAC name of oxolane;oxonane?
The IUPAC name of oxolane;oxonane (CID 159283889) is oxolane;oxonane.
What is the SMILES notation for oxolane;oxonane?
The canonical SMILES for oxolane;oxonane is C1CCCCOCCC1.C1CCOC1.
What is the InChIKey of oxolane;oxonane?
The InChIKey is KZGMFFXQQWHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C4H8O/c1-2-4-6-8-9-7-5-3-1;1-2-4-5-3-1/h1-8H2;1-4H2.
What are the key properties of oxolane;oxonane?
oxolane;oxonane has a molecular weight of 200.32 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;oxonane is sourced from PubChem (CID 159283889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).