1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol

C16H26O4 — CID 70218310

IUPAC1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol
SMILESCCOC(O)(C1=CCCCC1)C(O)OC1=CCCCC1
InChIInChI=1S/C16H26O4/c1-2-19-16(18,13-9-5-3-6-10-13)15(17)20-14-11-7-4-8-12-14/h9,11,15,17-18H,2-8,10,12H2,1H3
InChIKeyBNBCLOOSUFSDCE-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.00
Rot. Bonds6

About 1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol

1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol (PubChem CID 70218310) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol
PubChem CID70218310
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol
SMILESCCOC(O)(C1=CCCCC1)C(O)OC1=CCCCC1
InChIInChI=1S/C16H26O4/c1-2-19-16(18,13-9-5-3-6-10-13)15(17)20-14-11-7-4-8-12-14/h9,11,15,17-18H,2-8,10,12H2,1H3
InChIKeyBNBCLOOSUFSDCE-UHFFFAOYSA-N
XLogP3.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol (CID 70218310) is 1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol is CCOC(O)(C1=CCCCC1)C(O)OC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol?
The InChIKey is BNBCLOOSUFSDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-2-19-16(18,13-9-5-3-6-10-13)15(17)20-14-11-7-4-8-12-14/h9,11,15,17-18H,2-8,10,12H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol?
1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol has a molecular weight of 282.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(cyclohexen-1-yloxy)-1-ethoxyethane-1,2-diol is sourced from PubChem (CID 70218310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).