(6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane

C10H16O2 — CID 89244232

IUPAC(6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESC=COCC1CCC2(C)O[C@H]2C1
InChIInChI=1S/C10H16O2/c1-3-11-7-8-4-5-10(2)9(6-8)12-10/h3,8-9H,1,4-7H2,2H3/t8?,9-,10?/m0/s1
InChIKeyQMGFILOEZZTMEP-KYHHOPLUSA-N
MW168.24 g/mol
LogP2.10
Rot. Bonds3

About (6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane

(6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 89244232) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID89244232
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESC=COCC1CCC2(C)O[C@H]2C1
InChIInChI=1S/C10H16O2/c1-3-11-7-8-4-5-10(2)9(6-8)12-10/h3,8-9H,1,4-7H2,2H3/t8?,9-,10?/m0/s1
InChIKeyQMGFILOEZZTMEP-KYHHOPLUSA-N
XLogP2.10
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane (CID 89244232) is (6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane is C=COCC1CCC2(C)O[C@H]2C1.
What is the InChIKey of (6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is QMGFILOEZZTMEP-KYHHOPLUSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-11-7-8-4-5-10(2)9(6-8)12-10/h3,8-9H,1,4-7H2,2H3/t8?,9-,10?/m0/s1.
What are the key properties of (6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane?
(6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 168.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(ethenoxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 89244232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).