2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane

C24H44O5 — CID 14214414

IUPAC2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane
SMILESCCC(CCCOC1CCCCO1)/C(=C/CCCOC1CCCCO1)OC(C)C
InChIInChI=1S/C24H44O5/c1-4-21(12-11-19-28-24-15-7-10-18-27-24)22(29-20(2)3)13-5-8-16-25-23-14-6-9-17-26-23/h13,20-21,23-24H,4-12,14-19H2,1-3H3/b22-13-
InChIKeyPCTTUKZINRNEHQ-XKZIYDEJSA-N
MW412.61 g/mol
LogP5.97
Rot. Bonds14

About 2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane

2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane (PubChem CID 14214414) has the molecular formula C24H44O5 and a molecular weight of 412.61 g/mol. Its IUPAC name is 2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane
PubChem CID14214414
Molecular FormulaC24H44O5
Molecular Weight412.61 g/mol
Exact Mass412.32
IUPAC Name2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane
SMILESCCC(CCCOC1CCCCO1)/C(=C/CCCOC1CCCCO1)OC(C)C
InChIInChI=1S/C24H44O5/c1-4-21(12-11-19-28-24-15-7-10-18-27-24)22(29-20(2)3)13-5-8-16-25-23-14-6-9-17-26-23/h13,20-21,23-24H,4-12,14-19H2,1-3H3/b22-13-
InChIKeyPCTTUKZINRNEHQ-XKZIYDEJSA-N
XLogP5.97
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.61
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane?
The IUPAC name of 2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane (CID 14214414) is 2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane?
The canonical SMILES for 2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane is CCC(CCCOC1CCCCO1)/C(=C/CCCOC1CCCCO1)OC(C)C.
What is the InChIKey of 2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane?
The InChIKey is PCTTUKZINRNEHQ-XKZIYDEJSA-N. The full InChI is InChI=1S/C24H44O5/c1-4-21(12-11-19-28-24-15-7-10-18-27-24)22(29-20(2)3)13-5-8-16-25-23-14-6-9-17-26-23/h13,20-21,23-24H,4-12,14-19H2,1-3H3/b22-13-.
What are the key properties of 2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane?
2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane has a molecular weight of 412.61 g/mol, XLogP of 5.97, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-ethyl-9-(oxan-2-yloxy)-5-propan-2-yloxynon-5-enoxy]oxane is sourced from PubChem (CID 14214414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).