1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene

C23H30O4 — CID 163997460

IUPAC1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene
SMILESCC1=CC=C(OC(C)OCCOC2=CC=C(OC3=CCCC=C3)CC2)CC1
InChIInChI=1S/C23H30O4/c1-18-8-10-22(11-9-18)26-19(2)24-16-17-25-20-12-14-23(15-13-20)27-21-6-4-3-5-7-21/h4,6-8,10,12,14,19H,3,5,9,11,13,15-17H2,1-2H3
InChIKeyUFYXCMBYFUEUAL-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.82
Rot. Bonds9

About 1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene

1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene (PubChem CID 163997460) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene
PubChem CID163997460
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene
SMILESCC1=CC=C(OC(C)OCCOC2=CC=C(OC3=CCCC=C3)CC2)CC1
InChIInChI=1S/C23H30O4/c1-18-8-10-22(11-9-18)26-19(2)24-16-17-25-20-12-14-23(15-13-20)27-21-6-4-3-5-7-21/h4,6-8,10,12,14,19H,3,5,9,11,13,15-17H2,1-2H3
InChIKeyUFYXCMBYFUEUAL-UHFFFAOYSA-N
XLogP5.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene (CID 163997460) is 1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene is CC1=CC=C(OC(C)OCCOC2=CC=C(OC3=CCCC=C3)CC2)CC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene?
The InChIKey is UFYXCMBYFUEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-18-8-10-22(11-9-18)26-19(2)24-16-17-25-20-12-14-23(15-13-20)27-21-6-4-3-5-7-21/h4,6-8,10,12,14,19H,3,5,9,11,13,15-17H2,1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene?
1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene has a molecular weight of 370.49 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yloxy-4-[2-[1-(4-methylcyclohexa-1,3-dien-1-yl)oxyethoxy]ethoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 163997460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).