4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C24H42O5 — CID 70526483

IUPAC4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(C)(C)C(/C=C/C1C(COC)CC2OC(O)CC21)OC1CCCCO1
InChIInChI=1S/C24H42O5/c1-5-6-12-24(2,3)21(29-23-9-7-8-13-27-23)11-10-18-17(16-26-4)14-20-19(18)15-22(25)28-20/h10-11,17-23,25H,5-9,12-16H2,1-4H3/b11-10+
InChIKeyCEUXSQQHCFYVAK-ZHACJKMWSA-N
MW410.60 g/mol
LogP4.68
Rot. Bonds10

About 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 70526483) has the molecular formula C24H42O5 and a molecular weight of 410.60 g/mol. Its IUPAC name is 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID70526483
Molecular FormulaC24H42O5
Molecular Weight410.60 g/mol
Exact Mass410.30
IUPAC Name4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(C)(C)C(/C=C/C1C(COC)CC2OC(O)CC21)OC1CCCCO1
InChIInChI=1S/C24H42O5/c1-5-6-12-24(2,3)21(29-23-9-7-8-13-27-23)11-10-18-17(16-26-4)14-20-19(18)15-22(25)28-20/h10-11,17-23,25H,5-9,12-16H2,1-4H3/b11-10+
InChIKeyCEUXSQQHCFYVAK-ZHACJKMWSA-N
XLogP4.68
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 70526483) is 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is CCCCC(C)(C)C(/C=C/C1C(COC)CC2OC(O)CC21)OC1CCCCO1.
What is the InChIKey of 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is CEUXSQQHCFYVAK-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H42O5/c1-5-6-12-24(2,3)21(29-23-9-7-8-13-27-23)11-10-18-17(16-26-4)14-20-19(18)15-22(25)28-20/h10-11,17-23,25H,5-9,12-16H2,1-4H3/b11-10+.
What are the key properties of 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 410.60 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 70526483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).