1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol

C12H18O2 — CID 123209739

IUPAC1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol
SMILESOC1(OC2CC=CCC2)C=CCCC1
InChIInChI=1S/C12H18O2/c13-12(9-5-2-6-10-12)14-11-7-3-1-4-8-11/h1,3,5,9,11,13H,2,4,6-8,10H2
InChIKeyIQCGZGBNMBYJRO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.54
Rot. Bonds2

About 1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol

1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol (PubChem CID 123209739) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol
PubChem CID123209739
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol
SMILESOC1(OC2CC=CCC2)C=CCCC1
InChIInChI=1S/C12H18O2/c13-12(9-5-2-6-10-12)14-11-7-3-1-4-8-11/h1,3,5,9,11,13H,2,4,6-8,10H2
InChIKeyIQCGZGBNMBYJRO-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol?
The IUPAC name of 1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol (CID 123209739) is 1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol.
What is the SMILES notation for 1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol?
The canonical SMILES for 1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol is OC1(OC2CC=CCC2)C=CCCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol?
The InChIKey is IQCGZGBNMBYJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-12(9-5-2-6-10-12)14-11-7-3-1-4-8-11/h1,3,5,9,11,13H,2,4,6-8,10H2.
What are the key properties of 1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol?
1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yloxycyclohex-2-en-1-ol is sourced from PubChem (CID 123209739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).