2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene

C14H18O2 — CID 89269304

IUPAC2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene
SMILESCC(OC1=CCCC=C1)OC1C=CC=CC1
InChIInChI=1S/C14H18O2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2,4-6,8,10-13H,3,7,9H2,1H3
InChIKeyGUFZFCZBFWNFSJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.48
Rot. Bonds4

About 2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene

2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene (PubChem CID 89269304) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene
PubChem CID89269304
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene
SMILESCC(OC1=CCCC=C1)OC1C=CC=CC1
InChIInChI=1S/C14H18O2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2,4-6,8,10-13H,3,7,9H2,1H3
InChIKeyGUFZFCZBFWNFSJ-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene?
The IUPAC name of 2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene (CID 89269304) is 2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene is CC(OC1=CCCC=C1)OC1C=CC=CC1.
What is the InChIKey of 2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene?
The InChIKey is GUFZFCZBFWNFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2,4-6,8,10-13H,3,7,9H2,1H3.
What are the key properties of 2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene?
2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene has a molecular weight of 218.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 89269304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).