(4-methyloxan-2-ylidene)methanone

C7H10O2 — CID 151134572

IUPAC(4-methyloxan-2-ylidene)methanone
SMILESCC1CCOC(=C=O)C1
InChIInChI=1S/C7H10O2/c1-6-2-3-9-7(4-6)5-8/h6H,2-4H2,1H3
InChIKeyMUYDRVVHDFDCLP-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.15
Rot. Bonds

About (4-methyloxan-2-ylidene)methanone

(4-methyloxan-2-ylidene)methanone (PubChem CID 151134572) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is (4-methyloxan-2-ylidene)methanone.

Molecular Properties

Compound Name(4-methyloxan-2-ylidene)methanone
PubChem CID151134572
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name(4-methyloxan-2-ylidene)methanone
SMILESCC1CCOC(=C=O)C1
InChIInChI=1S/C7H10O2/c1-6-2-3-9-7(4-6)5-8/h6H,2-4H2,1H3
InChIKeyMUYDRVVHDFDCLP-UHFFFAOYSA-N
XLogP1.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-2-ylidene)methanone?
The IUPAC name of (4-methyloxan-2-ylidene)methanone (CID 151134572) is (4-methyloxan-2-ylidene)methanone.
What is the SMILES notation for (4-methyloxan-2-ylidene)methanone?
The canonical SMILES for (4-methyloxan-2-ylidene)methanone is CC1CCOC(=C=O)C1.
What is the InChIKey of (4-methyloxan-2-ylidene)methanone?
The InChIKey is MUYDRVVHDFDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6-2-3-9-7(4-6)5-8/h6H,2-4H2,1H3.
What are the key properties of (4-methyloxan-2-ylidene)methanone?
(4-methyloxan-2-ylidene)methanone has a molecular weight of 126.16 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-2-ylidene)methanone is sourced from PubChem (CID 151134572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).