1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane

C10H18O — CID 163302093

IUPAC1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane
SMILESCC(C)C12COCC(C)(C1)C2
InChIInChI=1S/C10H18O/c1-8(2)10-4-9(3,5-10)6-11-7-10/h8H,4-7H2,1-3H3
InChIKeyVFMYHKXYAVTOJO-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds1

About 1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane

1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane (PubChem CID 163302093) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane
PubChem CID163302093
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane
SMILESCC(C)C12COCC(C)(C1)C2
InChIInChI=1S/C10H18O/c1-8(2)10-4-9(3,5-10)6-11-7-10/h8H,4-7H2,1-3H3
InChIKeyVFMYHKXYAVTOJO-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
The IUPAC name of 1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane (CID 163302093) is 1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane.
What is the SMILES notation for 1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
The canonical SMILES for 1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane is CC(C)C12COCC(C)(C1)C2.
What is the InChIKey of 1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
The InChIKey is VFMYHKXYAVTOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)10-4-9(3,5-10)6-11-7-10/h8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]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 1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane is sourced from PubChem (CID 163302093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).