2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane

C10H18O — CID 22130

IUPAC2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)C1CCC(C)C2OC12
InChIInChI=1S/C10H18O/c1-6(2)8-5-4-7(3)9-10(8)11-9/h6-10H,4-5H2,1-3H3
InChIKeyDVDWHWOVXBYPFH-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds1

About 2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane

2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 22130) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID22130
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)C1CCC(C)C2OC12
InChIInChI=1S/C10H18O/c1-6(2)8-5-4-7(3)9-10(8)11-9/h6-10H,4-5H2,1-3H3
InChIKeyDVDWHWOVXBYPFH-UHFFFAOYSA-N
XLogP2.46
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane (CID 22130) is 2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane is CC(C)C1CCC(C)C2OC12.
What is the InChIKey of 2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is DVDWHWOVXBYPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-6(2)8-5-4-7(3)9-10(8)11-9/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 22130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).