3-(cyclohexen-1-yloxy)propane-1,2-diol

C9H16O3 — CID 18350559

IUPAC3-(cyclohexen-1-yloxy)propane-1,2-diol
SMILESOCC(O)COC1=CCCCC1
InChIInChI=1S/C9H16O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h4,8,10-11H,1-3,5-7H2
InChIKeyYOMIDPIBJDBFOE-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.81
Rot. Bonds4

About 3-(cyclohexen-1-yloxy)propane-1,2-diol

3-(cyclohexen-1-yloxy)propane-1,2-diol (PubChem CID 18350559) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-(cyclohexen-1-yloxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(cyclohexen-1-yloxy)propane-1,2-diol
PubChem CID18350559
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-(cyclohexen-1-yloxy)propane-1,2-diol
SMILESOCC(O)COC1=CCCCC1
InChIInChI=1S/C9H16O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h4,8,10-11H,1-3,5-7H2
InChIKeyYOMIDPIBJDBFOE-UHFFFAOYSA-N
XLogP0.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yloxy)propane-1,2-diol?
The IUPAC name of 3-(cyclohexen-1-yloxy)propane-1,2-diol (CID 18350559) is 3-(cyclohexen-1-yloxy)propane-1,2-diol.
What is the SMILES notation for 3-(cyclohexen-1-yloxy)propane-1,2-diol?
The canonical SMILES for 3-(cyclohexen-1-yloxy)propane-1,2-diol is OCC(O)COC1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yloxy)propane-1,2-diol?
The InChIKey is YOMIDPIBJDBFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h4,8,10-11H,1-3,5-7H2.
What are the key properties of 3-(cyclohexen-1-yloxy)propane-1,2-diol?
3-(cyclohexen-1-yloxy)propane-1,2-diol has a molecular weight of 172.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yloxy)propane-1,2-diol is sourced from PubChem (CID 18350559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).