1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene

C19H24O2 — CID 88984663

IUPAC1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene
SMILESC=CC(=C)OC(C)COC1=CC=C(C2=CC=CCC2)CC1
InChIInChI=1S/C19H24O2/c1-4-15(2)21-16(3)14-20-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h4-6,8,10,12,16H,1-2,7,9,11,13-14H2,3H3
InChIKeyRCOWMEPBSRUYKD-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.99
Rot. Bonds7

About 1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene

1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene (PubChem CID 88984663) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene
PubChem CID88984663
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene
SMILESC=CC(=C)OC(C)COC1=CC=C(C2=CC=CCC2)CC1
InChIInChI=1S/C19H24O2/c1-4-15(2)21-16(3)14-20-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h4-6,8,10,12,16H,1-2,7,9,11,13-14H2,3H3
InChIKeyRCOWMEPBSRUYKD-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene?
The IUPAC name of 1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene (CID 88984663) is 1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene?
The canonical SMILES for 1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene is C=CC(=C)OC(C)COC1=CC=C(C2=CC=CCC2)CC1.
What is the InChIKey of 1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene?
The InChIKey is RCOWMEPBSRUYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-4-15(2)21-16(3)14-20-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h4-6,8,10,12,16H,1-2,7,9,11,13-14H2,3H3.
What are the key properties of 1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene?
1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene has a molecular weight of 284.40 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-buta-1,3-dien-2-yloxypropoxy)-4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-diene is sourced from PubChem (CID 88984663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).