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

C23H40O4 — CID 57129505

IUPAC2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane
SMILESCCCCCCC=C(OC1CCCCO1)[C@@H]1CCC[C@H]1OC1CCCCO1
InChIInChI=1S/C23H40O4/c1-2-3-4-5-6-13-20(26-22-15-7-9-17-24-22)19-12-11-14-21(19)27-23-16-8-10-18-25-23/h13,19,21-23H,2-12,14-18H2,1H3/t19-,21+,22?,23?/m0/s1
InChIKeyBXHGETKOTTYIDZ-JABWIYMSSA-N
MW380.57 g/mol
LogP6.10
Rot. Bonds10

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

2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane (PubChem CID 57129505) has the molecular formula C23H40O4 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane.

Molecular Properties

Compound Name2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane
PubChem CID57129505
Molecular FormulaC23H40O4
Molecular Weight380.57 g/mol
Exact Mass380.29
IUPAC Name2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane
SMILESCCCCCCC=C(OC1CCCCO1)[C@@H]1CCC[C@H]1OC1CCCCO1
InChIInChI=1S/C23H40O4/c1-2-3-4-5-6-13-20(26-22-15-7-9-17-24-22)19-12-11-14-21(19)27-23-16-8-10-18-25-23/h13,19,21-23H,2-12,14-18H2,1H3/t19-,21+,22?,23?/m0/s1
InChIKeyBXHGETKOTTYIDZ-JABWIYMSSA-N
XLogP6.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane?
The IUPAC name of 2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane (CID 57129505) is 2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane.
What is the SMILES notation for 2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane?
The canonical SMILES for 2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane is CCCCCCC=C(OC1CCCCO1)[C@@H]1CCC[C@H]1OC1CCCCO1.
What is the InChIKey of 2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane?
The InChIKey is BXHGETKOTTYIDZ-JABWIYMSSA-N. The full InChI is InChI=1S/C23H40O4/c1-2-3-4-5-6-13-20(26-22-15-7-9-17-24-22)19-12-11-14-21(19)27-23-16-8-10-18-25-23/h13,19,21-23H,2-12,14-18H2,1H3/t19-,21+,22?,23?/m0/s1.
What are the key properties of 2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane?
2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane has a molecular weight of 380.57 g/mol, XLogP of 6.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R,2R)-2-(oxan-2-yloxy)cyclopentyl]oct-1-enoxy]oxane is sourced from PubChem (CID 57129505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).