4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol

C17H32O3 — CID 18426916

IUPAC4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
SMILESCCCCCCCCCCC1C(O)CC2OC(O)CC21
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-13-14-11-17(19)20-16(14)12-15(13)18/h13-19H,2-12H2,1H3
InChIKeyXCVLVRSTFKGFJU-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.62
Rot. Bonds9

About 4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol

4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol (PubChem CID 18426916) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol.

Molecular Properties

Compound Name4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
PubChem CID18426916
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
SMILESCCCCCCCCCCC1C(O)CC2OC(O)CC21
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-13-14-11-17(19)20-16(14)12-15(13)18/h13-19H,2-12H2,1H3
InChIKeyXCVLVRSTFKGFJU-UHFFFAOYSA-N
XLogP3.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
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 4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol?
The IUPAC name of 4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol (CID 18426916) is 4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol.
What is the SMILES notation for 4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol?
The canonical SMILES for 4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol is CCCCCCCCCCC1C(O)CC2OC(O)CC21.
What is the InChIKey of 4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol?
The InChIKey is XCVLVRSTFKGFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-13-14-11-17(19)20-16(14)12-15(13)18/h13-19H,2-12H2,1H3.
What are the key properties of 4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol?
4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol has a molecular weight of 284.44 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol is sourced from PubChem (CID 18426916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).