6-ethenyl-3-propan-2-yloxan-2-ol

C10H18O2 — CID 134288719

IUPAC6-ethenyl-3-propan-2-yloxan-2-ol
SMILESC=CC1CCC(C(C)C)C(O)O1
InChIInChI=1S/C10H18O2/c1-4-8-5-6-9(7(2)3)10(11)12-8/h4,7-11H,1,5-6H2,2-3H3
InChIKeyLGKIMBZJJXQWMR-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.94
Rot. Bonds2

About 6-ethenyl-3-propan-2-yloxan-2-ol

6-ethenyl-3-propan-2-yloxan-2-ol (PubChem CID 134288719) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-ethenyl-3-propan-2-yloxan-2-ol.

Molecular Properties

Compound Name6-ethenyl-3-propan-2-yloxan-2-ol
PubChem CID134288719
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-ethenyl-3-propan-2-yloxan-2-ol
SMILESC=CC1CCC(C(C)C)C(O)O1
InChIInChI=1S/C10H18O2/c1-4-8-5-6-9(7(2)3)10(11)12-8/h4,7-11H,1,5-6H2,2-3H3
InChIKeyLGKIMBZJJXQWMR-UHFFFAOYSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-propan-2-yloxan-2-ol?
The IUPAC name of 6-ethenyl-3-propan-2-yloxan-2-ol (CID 134288719) is 6-ethenyl-3-propan-2-yloxan-2-ol.
What is the SMILES notation for 6-ethenyl-3-propan-2-yloxan-2-ol?
The canonical SMILES for 6-ethenyl-3-propan-2-yloxan-2-ol is C=CC1CCC(C(C)C)C(O)O1.
What is the InChIKey of 6-ethenyl-3-propan-2-yloxan-2-ol?
The InChIKey is LGKIMBZJJXQWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8-5-6-9(7(2)3)10(11)12-8/h4,7-11H,1,5-6H2,2-3H3.
What are the key properties of 6-ethenyl-3-propan-2-yloxan-2-ol?
6-ethenyl-3-propan-2-yloxan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-propan-2-yloxan-2-ol is sourced from PubChem (CID 134288719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).