1-cyclohex-2-en-1-yloxycyclohexene

C12H18O — CID 154277596

IUPAC1-cyclohex-2-en-1-yloxycyclohexene
SMILESC1=CC(OC2=CCCCC2)CCC1
InChIInChI=1S/C12H18O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,9,11H,1-2,4-6,8,10H2
InChIKeyGGEDGUJUTDPYTD-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.57
Rot. Bonds2

About 1-cyclohex-2-en-1-yloxycyclohexene

1-cyclohex-2-en-1-yloxycyclohexene (PubChem CID 154277596) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yloxycyclohexene.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yloxycyclohexene
PubChem CID154277596
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name1-cyclohex-2-en-1-yloxycyclohexene
SMILESC1=CC(OC2=CCCCC2)CCC1
InChIInChI=1S/C12H18O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,9,11H,1-2,4-6,8,10H2
InChIKeyGGEDGUJUTDPYTD-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yloxycyclohexene?
The IUPAC name of 1-cyclohex-2-en-1-yloxycyclohexene (CID 154277596) is 1-cyclohex-2-en-1-yloxycyclohexene.
What is the SMILES notation for 1-cyclohex-2-en-1-yloxycyclohexene?
The canonical SMILES for 1-cyclohex-2-en-1-yloxycyclohexene is C1=CC(OC2=CCCCC2)CCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yloxycyclohexene?
The InChIKey is GGEDGUJUTDPYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,9,11H,1-2,4-6,8,10H2.
What are the key properties of 1-cyclohex-2-en-1-yloxycyclohexene?
1-cyclohex-2-en-1-yloxycyclohexene has a molecular weight of 178.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yloxycyclohexene is sourced from PubChem (CID 154277596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).