4-methyl-3-oxatricyclo[5.2.1.02,6]decane

C10H16O — CID 58944167

IUPAC4-methyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCC1CC2C3CCC(C3)C2O1
InChIInChI=1S/C10H16O/c1-6-4-9-7-2-3-8(5-7)10(9)11-6/h6-10H,2-5H2,1H3
InChIKeyNVNNBTCGACORBG-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.21
Rot. Bonds

About 4-methyl-3-oxatricyclo[5.2.1.02,6]decane

4-methyl-3-oxatricyclo[5.2.1.02,6]decane (PubChem CID 58944167) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methyl-3-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name4-methyl-3-oxatricyclo[5.2.1.02,6]decane
PubChem CID58944167
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-methyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCC1CC2C3CCC(C3)C2O1
InChIInChI=1S/C10H16O/c1-6-4-9-7-2-3-8(5-7)10(9)11-6/h6-10H,2-5H2,1H3
InChIKeyNVNNBTCGACORBG-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxatricyclo[5.2.1.02,6]decane?
The IUPAC name of 4-methyl-3-oxatricyclo[5.2.1.02,6]decane (CID 58944167) is 4-methyl-3-oxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 4-methyl-3-oxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 4-methyl-3-oxatricyclo[5.2.1.02,6]decane is CC1CC2C3CCC(C3)C2O1.
What is the InChIKey of 4-methyl-3-oxatricyclo[5.2.1.02,6]decane?
The InChIKey is NVNNBTCGACORBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6-4-9-7-2-3-8(5-7)10(9)11-6/h6-10H,2-5H2,1H3.
What are the key properties of 4-methyl-3-oxatricyclo[5.2.1.02,6]decane?
4-methyl-3-oxatricyclo[5.2.1.02,6]decane has a molecular weight of 152.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 58944167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).