6-ethenyl-4-methoxy-5-methyloxan-2-ol

C9H16O3 — CID 91529729

IUPAC6-ethenyl-4-methoxy-5-methyloxan-2-ol
SMILESC=CC1OC(O)CC(OC)C1C
InChIInChI=1S/C9H16O3/c1-4-7-6(2)8(11-3)5-9(10)12-7/h4,6-10H,1,5H2,2-3H3
InChIKeyRENNDYQAAPDAKI-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.93
Rot. Bonds2

About 6-ethenyl-4-methoxy-5-methyloxan-2-ol

6-ethenyl-4-methoxy-5-methyloxan-2-ol (PubChem CID 91529729) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 6-ethenyl-4-methoxy-5-methyloxan-2-ol.

Molecular Properties

Compound Name6-ethenyl-4-methoxy-5-methyloxan-2-ol
PubChem CID91529729
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name6-ethenyl-4-methoxy-5-methyloxan-2-ol
SMILESC=CC1OC(O)CC(OC)C1C
InChIInChI=1S/C9H16O3/c1-4-7-6(2)8(11-3)5-9(10)12-7/h4,6-10H,1,5H2,2-3H3
InChIKeyRENNDYQAAPDAKI-UHFFFAOYSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-methoxy-5-methyloxan-2-ol?
The IUPAC name of 6-ethenyl-4-methoxy-5-methyloxan-2-ol (CID 91529729) is 6-ethenyl-4-methoxy-5-methyloxan-2-ol.
What is the SMILES notation for 6-ethenyl-4-methoxy-5-methyloxan-2-ol?
The canonical SMILES for 6-ethenyl-4-methoxy-5-methyloxan-2-ol is C=CC1OC(O)CC(OC)C1C.
What is the InChIKey of 6-ethenyl-4-methoxy-5-methyloxan-2-ol?
The InChIKey is RENNDYQAAPDAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-7-6(2)8(11-3)5-9(10)12-7/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 6-ethenyl-4-methoxy-5-methyloxan-2-ol?
6-ethenyl-4-methoxy-5-methyloxan-2-ol has a molecular weight of 172.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-methoxy-5-methyloxan-2-ol is sourced from PubChem (CID 91529729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).