2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane

C25H44O4 — CID 57033763

IUPAC2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane
SMILESCCCCC(C)(C)CC=C(OC1CCCCO1)[C@@H]1CCC[C@H]1OC1CCCCO1
InChIInChI=1S/C25H44O4/c1-4-5-16-25(2,3)17-15-22(29-24-14-7-9-19-27-24)20-11-10-12-21(20)28-23-13-6-8-18-26-23/h15,20-21,23-24H,4-14,16-19H2,1-3H3/t20-,21-,23?,24?/m1/s1
InChIKeyWSUDHYACMTVBNU-WXYTXABISA-N
MW408.62 g/mol
LogP6.73
Rot. Bonds10

About 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane

2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane (PubChem CID 57033763) has the molecular formula C25H44O4 and a molecular weight of 408.62 g/mol. Its IUPAC name is 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane.

Molecular Properties

Compound Name2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane
PubChem CID57033763
Molecular FormulaC25H44O4
Molecular Weight408.62 g/mol
Exact Mass408.32
IUPAC Name2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane
SMILESCCCCC(C)(C)CC=C(OC1CCCCO1)[C@@H]1CCC[C@H]1OC1CCCCO1
InChIInChI=1S/C25H44O4/c1-4-5-16-25(2,3)17-15-22(29-24-14-7-9-19-27-24)20-11-10-12-21(20)28-23-13-6-8-18-26-23/h15,20-21,23-24H,4-14,16-19H2,1-3H3/t20-,21-,23?,24?/m1/s1
InChIKeyWSUDHYACMTVBNU-WXYTXABISA-N
XLogP6.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.62
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane?
The IUPAC name of 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane (CID 57033763) is 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane.
What is the SMILES notation for 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane?
The canonical SMILES for 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane is CCCCC(C)(C)CC=C(OC1CCCCO1)[C@@H]1CCC[C@H]1OC1CCCCO1.
What is the InChIKey of 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane?
The InChIKey is WSUDHYACMTVBNU-WXYTXABISA-N. The full InChI is InChI=1S/C25H44O4/c1-4-5-16-25(2,3)17-15-22(29-24-14-7-9-19-27-24)20-11-10-12-21(20)28-23-13-6-8-18-26-23/h15,20-21,23-24H,4-14,16-19H2,1-3H3/t20-,21-,23?,24?/m1/s1.
What are the key properties of 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane?
2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane has a molecular weight of 408.62 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-dimethyl-1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane is sourced from PubChem (CID 57033763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).