(1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene

C14H24O4 — CID 5371690

IUPAC(1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene
SMILESCOC1(OC)C/C=C\CC(OC)(OC)C/C=C\C1
InChIInChI=1S/C14H24O4/c1-15-13(16-2)9-5-7-11-14(17-3,18-4)12-8-6-10-13/h5-8H,9-12H2,1-4H3/b7-5-,8-6-
InChIKeyFXEJEUJFKHXPRQ-SFECMWDFSA-N
MW256.34 g/mol
LogP2.65
Rot. Bonds4

About (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene

(1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene (PubChem CID 5371690) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene.

Molecular Properties

Compound Name(1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene
PubChem CID5371690
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene
SMILESCOC1(OC)C/C=C\CC(OC)(OC)C/C=C\C1
InChIInChI=1S/C14H24O4/c1-15-13(16-2)9-5-7-11-14(17-3,18-4)12-8-6-10-13/h5-8H,9-12H2,1-4H3/b7-5-,8-6-
InChIKeyFXEJEUJFKHXPRQ-SFECMWDFSA-N
XLogP2.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene?
The IUPAC name of (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene (CID 5371690) is (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene.
What is the SMILES notation for (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene?
The canonical SMILES for (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene is COC1(OC)C/C=C\CC(OC)(OC)C/C=C\C1.
What is the InChIKey of (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene?
The InChIKey is FXEJEUJFKHXPRQ-SFECMWDFSA-N. The full InChI is InChI=1S/C14H24O4/c1-15-13(16-2)9-5-7-11-14(17-3,18-4)12-8-6-10-13/h5-8H,9-12H2,1-4H3/b7-5-,8-6-.
What are the key properties of (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene?
(1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene has a molecular weight of 256.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene is sourced from PubChem (CID 5371690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).