4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C16H30O3 — CID 21328891

IUPAC4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCCC(C)(O)CCC1CCC2OC(O)CC12
InChIInChI=1S/C16H30O3/c1-3-4-5-9-16(2,18)10-8-12-6-7-14-13(12)11-15(17)19-14/h12-15,17-18H,3-11H2,1-2H3
InChIKeyROYINNYODALTKQ-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.23
Rot. Bonds7

About 4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 21328891) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID21328891
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCCC(C)(O)CCC1CCC2OC(O)CC12
InChIInChI=1S/C16H30O3/c1-3-4-5-9-16(2,18)10-8-12-6-7-14-13(12)11-15(17)19-14/h12-15,17-18H,3-11H2,1-2H3
InChIKeyROYINNYODALTKQ-UHFFFAOYSA-N
XLogP3.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.23
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-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of 4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 21328891) is 4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for 4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for 4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is CCCCCC(C)(O)CCC1CCC2OC(O)CC12.
What is the InChIKey of 4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is ROYINNYODALTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-4-5-9-16(2,18)10-8-12-6-7-14-13(12)11-15(17)19-14/h12-15,17-18H,3-11H2,1-2H3.
What are the key properties of 4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 270.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 21328891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).