(1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane

C7H10O — CID 146208377

IUPAC(1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane
SMILESCC12O[C@@]13CCC2C3
InChIInChI=1S/C7H10O/c1-6-5-2-3-7(6,4-5)8-6/h5H,2-4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyDGVPGKBGRIVVTF-KPGICGJXSA-N
MW110.16 g/mol
LogP1.33
Rot. Bonds

About (1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane

(1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane (PubChem CID 146208377) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane.

Molecular Properties

Compound Name(1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane
PubChem CID146208377
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane
SMILESCC12O[C@@]13CCC2C3
InChIInChI=1S/C7H10O/c1-6-5-2-3-7(6,4-5)8-6/h5H,2-4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyDGVPGKBGRIVVTF-KPGICGJXSA-N
XLogP1.33
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.33
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 (1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane?
The IUPAC name of (1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane (CID 146208377) is (1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane.
What is the SMILES notation for (1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane?
The canonical SMILES for (1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane is CC12O[C@@]13CCC2C3.
What is the InChIKey of (1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane?
The InChIKey is DGVPGKBGRIVVTF-KPGICGJXSA-N. The full InChI is InChI=1S/C7H10O/c1-6-5-2-3-7(6,4-5)8-6/h5H,2-4H2,1H3/t5?,6?,7-/m1/s1.
What are the key properties of (1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane?
(1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane has a molecular weight of 110.16 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane is sourced from PubChem (CID 146208377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).