(1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane

C10H16O — CID 134862793

IUPAC(1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane
SMILESC=C1CC(C)(C)C[C@]2(C)O[C@H]12
InChIInChI=1S/C10H16O/c1-7-5-9(2,3)6-10(4)8(7)11-10/h8H,1,5-6H2,2-4H3/t8-,10+/m1/s1
InChIKeyYSLLLOUAGFHJCY-SCZZXKLOSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

About (1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane

(1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane (PubChem CID 134862793) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane
PubChem CID134862793
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane
SMILESC=C1CC(C)(C)C[C@]2(C)O[C@H]12
InChIInChI=1S/C10H16O/c1-7-5-9(2,3)6-10(4)8(7)11-10/h8H,1,5-6H2,2-4H3/t8-,10+/m1/s1
InChIKeyYSLLLOUAGFHJCY-SCZZXKLOSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane (CID 134862793) is (1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane is C=C1CC(C)(C)C[C@]2(C)O[C@H]12.
What is the InChIKey of (1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane?
The InChIKey is YSLLLOUAGFHJCY-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H16O/c1-7-5-9(2,3)6-10(4)8(7)11-10/h8H,1,5-6H2,2-4H3/t8-,10+/m1/s1.
What are the key properties of (1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane?
(1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-1,3,3-trimethyl-5-methylidene-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 134862793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).