1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene

C12H14O — CID 22459502

IUPAC1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene
SMILESC1=CCCC(OC2C=CC=CC2)=C1
InChIInChI=1S/C12H14O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,7,9,11H,6,8,10H2
InChIKeyWMXZBXUDDBBUKC-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.12
Rot. Bonds2

About 1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene

1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene (PubChem CID 22459502) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene
PubChem CID22459502
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene
SMILESC1=CCCC(OC2C=CC=CC2)=C1
InChIInChI=1S/C12H14O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,7,9,11H,6,8,10H2
InChIKeyWMXZBXUDDBBUKC-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene (CID 22459502) is 1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene is C1=CCCC(OC2C=CC=CC2)=C1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene?
The InChIKey is WMXZBXUDDBBUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,7,9,11H,6,8,10H2.
What are the key properties of 1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene?
1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene has a molecular weight of 174.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 22459502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).