methane;3-methylideneoxolan-2-one

C10H26O2 — CID 158623131

IUPACmethane;3-methylideneoxolan-2-one
SMILESC.C.C.C.C.C=C1CCOC1=O
InChIInChI=1S/C5H6O2.5CH4/c1-4-2-3-7-5(4)6;;;;;/h1-3H2;5*1H4
InChIKeyHYGDHXCOQRYBEW-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.67
Rot. Bonds

About methane;3-methylideneoxolan-2-one

methane;3-methylideneoxolan-2-one (PubChem CID 158623131) has the molecular formula C10H26O2 and a molecular weight of 178.32 g/mol. Its IUPAC name is methane;3-methylideneoxolan-2-one.

Molecular Properties

Compound Namemethane;3-methylideneoxolan-2-one
PubChem CID158623131
Molecular FormulaC10H26O2
Molecular Weight178.32 g/mol
Exact Mass178.19
IUPAC Namemethane;3-methylideneoxolan-2-one
SMILESC.C.C.C.C.C=C1CCOC1=O
InChIInChI=1S/C5H6O2.5CH4/c1-4-2-3-7-5(4)6;;;;;/h1-3H2;5*1H4
InChIKeyHYGDHXCOQRYBEW-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;3-methylideneoxolan-2-one?
The IUPAC name of methane;3-methylideneoxolan-2-one (CID 158623131) is methane;3-methylideneoxolan-2-one.
What is the SMILES notation for methane;3-methylideneoxolan-2-one?
The canonical SMILES for methane;3-methylideneoxolan-2-one is C.C.C.C.C.C=C1CCOC1=O.
What is the InChIKey of methane;3-methylideneoxolan-2-one?
The InChIKey is HYGDHXCOQRYBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.5CH4/c1-4-2-3-7-5(4)6;;;;;/h1-3H2;5*1H4.
What are the key properties of methane;3-methylideneoxolan-2-one?
methane;3-methylideneoxolan-2-one has a molecular weight of 178.32 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylideneoxolan-2-one is sourced from PubChem (CID 158623131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).