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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Related Compounds

2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
CID 106651627
(1E)-1-ethoxycyclodecene
CID 164771748
(1E)-1-ethoxycyclodecene;(1E)-1-ethoxycyclododecene;1-ethoxycycloheptene;1-ethoxycyclohexene;(1E)-1-ethoxycyclononene;(1E)-1-ethoxycyclooctene;(1E)-1-ethoxycyclotetradecene;(1E)-1-ethoxycyclotridecene;(1E)-1-ethoxycycloundecene
CID 165044943
2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
CID 106651265
(2R)-2-(cyclohexen-1-yloxy)propan-1-amine
CID 174454430
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133
1-ethylperoxycyclohexene
CID 140972894
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
1-[1-(cyclopenten-1-yloxy)pent-3-enoxy]cyclopentene
CID 140991633
3-(cyclohexen-1-yloxy)-2,2-dimethylpropan-1-ol
CID 106651390
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide
CID 100937759

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).