7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol

C10H16O3 — CID 18710515

IUPAC7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol
SMILESCCCOC(O)C1CC2C=CC1O2
InChIInChI=1S/C10H16O3/c1-2-5-12-10(11)8-6-7-3-4-9(8)13-7/h3-4,7-11H,2,5-6H2,1H3
InChIKeyAIMTYKVXQFKXMO-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.07
Rot. Bonds4

About 7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol

7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol (PubChem CID 18710515) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol
PubChem CID18710515
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol
SMILESCCCOC(O)C1CC2C=CC1O2
InChIInChI=1S/C10H16O3/c1-2-5-12-10(11)8-6-7-3-4-9(8)13-7/h3-4,7-11H,2,5-6H2,1H3
InChIKeyAIMTYKVXQFKXMO-UHFFFAOYSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol?
The IUPAC name of 7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol (CID 18710515) is 7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol.
What is the SMILES notation for 7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol?
The canonical SMILES for 7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol is CCCOC(O)C1CC2C=CC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol?
The InChIKey is AIMTYKVXQFKXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-5-12-10(11)8-6-7-3-4-9(8)13-7/h3-4,7-11H,2,5-6H2,1H3.
What are the key properties of 7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol?
7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol has a molecular weight of 184.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol is sourced from PubChem (CID 18710515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).