(2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

C16H28O3 — CID 10587987

IUPAC(2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESCCCCCCCCCC[C@@H]1C[C@H]2CC(=O)O[C@H]2O1
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15(17)19-16(13)18-14/h13-14,16H,2-12H2,1H3/t13-,14+,16+/m0/s1
InChIKeyJIZACMWQODXUPV-SQWLQELKSA-N
MW268.40 g/mol
LogP4.20
Rot. Bonds9

About (2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

(2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (PubChem CID 10587987) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.

Molecular Properties

Compound Name(2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
PubChem CID10587987
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESCCCCCCCCCC[C@@H]1C[C@H]2CC(=O)O[C@H]2O1
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15(17)19-16(13)18-14/h13-14,16H,2-12H2,1H3/t13-,14+,16+/m0/s1
InChIKeyJIZACMWQODXUPV-SQWLQELKSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The IUPAC name of (2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (CID 10587987) is (2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.
What is the SMILES notation for (2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The canonical SMILES for (2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is CCCCCCCCCC[C@@H]1C[C@H]2CC(=O)O[C@H]2O1.
What is the InChIKey of (2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The InChIKey is JIZACMWQODXUPV-SQWLQELKSA-N. The full InChI is InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15(17)19-16(13)18-14/h13-14,16H,2-12H2,1H3/t13-,14+,16+/m0/s1.
What are the key properties of (2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
(2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one has a molecular weight of 268.40 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is sourced from PubChem (CID 10587987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).