1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

C10H16O2 — CID 557207

IUPAC1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESCC1OC(=O)C2C1CCC2(C)C
InChIInChI=1S/C10H16O2/c1-6-7-4-5-10(2,3)8(7)9(11)12-6/h6-8H,4-5H2,1-3H3
InChIKeyJRKASVONGITXFG-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.98
Rot. Bonds

About 1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 557207) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID557207
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESCC1OC(=O)C2C1CCC2(C)C
InChIInChI=1S/C10H16O2/c1-6-7-4-5-10(2,3)8(7)9(11)12-6/h6-8H,4-5H2,1-3H3
InChIKeyJRKASVONGITXFG-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 557207) is 1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is CC1OC(=O)C2C1CCC2(C)C.
What is the InChIKey of 1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is JRKASVONGITXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-7-4-5-10(2,3)8(7)9(11)12-6/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 557207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).