1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

C24H30O4 — CID 88984662

IUPAC1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESC=CC(=C)OCCOC1=CC=C(C2=CC=C(OCCOC(=C)C=C)CC2)CC1
InChIInChI=1S/C24H30O4/c1-5-19(3)25-15-17-27-23-11-7-21(8-12-23)22-9-13-24(14-10-22)28-18-16-26-20(4)6-2/h5-7,9,11,13H,1-4,8,10,12,14-18H2
InChIKeyXCUNKZRELAPYQV-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.66
Rot. Bonds13

About 1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (PubChem CID 88984662) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
PubChem CID88984662
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESC=CC(=C)OCCOC1=CC=C(C2=CC=C(OCCOC(=C)C=C)CC2)CC1
InChIInChI=1S/C24H30O4/c1-5-19(3)25-15-17-27-23-11-7-21(8-12-23)22-9-13-24(14-10-22)28-18-16-26-20(4)6-2/h5-7,9,11,13H,1-4,8,10,12,14-18H2
InChIKeyXCUNKZRELAPYQV-UHFFFAOYSA-N
XLogP5.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.66
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The IUPAC name of 1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (CID 88984662) is 1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is C=CC(=C)OCCOC1=CC=C(C2=CC=C(OCCOC(=C)C=C)CC2)CC1.
What is the InChIKey of 1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The InChIKey is XCUNKZRELAPYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-5-19(3)25-15-17-27-23-11-7-21(8-12-23)22-9-13-24(14-10-22)28-18-16-26-20(4)6-2/h5-7,9,11,13H,1-4,8,10,12,14-18H2.
What are the key properties of 1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene has a molecular weight of 382.50 g/mol, XLogP of 5.66, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-buta-1,3-dien-2-yloxyethoxy)-4-[4-(2-buta-1,3-dien-2-yloxyethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 88984662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).