(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-ol
CID 72789838
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 2758
1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700
triethyl-[[(1S,3S,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl]oxy]silane
CID 11209955
1-methyl-2-oxabicyclo[2.2.0]hexane
CID 119098021
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
[(3S)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl]methanol
CID 15172597
(1S,4R,7S,9S,11R)-11-methyl-8-oxatetracyclo[5.3.2.04,9.04,11]dodecane
CID 162911062
(1S,3S,6R,9R)-3-butyl-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-ol
CID 15513011
1,2-dimethylbicyclo[3.1.0]hexan-2-amine
CID 152586556
5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
CID 13423312
[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]methanone
CID 134874429

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).