4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one

C10H14O2 — CID 572143

IUPAC4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2C1(C)C
InChIInChI=1S/C10H14O2/c1-6-4-7-5-12-9(11)8(7)10(6,2)3/h7-8H,1,4-5H2,2-3H3
InChIKeySQYURZJYWFOQFH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.76
Rot. Bonds

About 4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one

4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 572143) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID572143
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2C1(C)C
InChIInChI=1S/C10H14O2/c1-6-4-7-5-12-9(11)8(7)10(6,2)3/h7-8H,1,4-5H2,2-3H3
InChIKeySQYURZJYWFOQFH-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one (CID 572143) is 4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one is C=C1CC2COC(=O)C2C1(C)C.
What is the InChIKey of 4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is SQYURZJYWFOQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-4-7-5-12-9(11)8(7)10(6,2)3/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one?
4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-methylidene-1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 572143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).