(2S,4R)-3-oxatricyclo[3.2.1.02,4]octane

C7H10O — CID 6432296

IUPAC(2S,4R)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC1CC2CC1[C@H]1O[C@@H]21
InChIInChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4?,5?,6-,7+
InChIKeyOHNNZOOGWXZCPZ-CYDAGYADSA-N
MW110.16 g/mol
LogP1.18
Rot. Bonds

About (2S,4R)-3-oxatricyclo[3.2.1.02,4]octane

(2S,4R)-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 6432296) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (2S,4R)-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name(2S,4R)-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID6432296
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(2S,4R)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC1CC2CC1[C@H]1O[C@@H]21
InChIInChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4?,5?,6-,7+
InChIKeyOHNNZOOGWXZCPZ-CYDAGYADSA-N
XLogP1.18
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 ≤ 51.18
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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Related Compounds

exo-2,3-Epoxynorbornane
CID 18463
rel-(1R,2S,4R,5S)-3-Oxatricyclo[3.2.1.02,4]octane
CID 11789154
Bicyclo(2.2.1)heptane, 2-methoxy-, endo-
CID 139142
(1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane
CID 12504771
Epoxynorbornane
CID 12948612
2-Butoxybicyclo(2,2,1)heptane
CID 54376525
Exo-2-(2-methylpropoxy)bicyclo[2.2.1]heptane
CID 76640935
Exo-2-(propoxy)bicyclo[2.2.1]heptane
CID 89305037
2-Cyclopropyloxy-2-fluorobicyclo[2.2.1]heptane
CID 163761951
Rel-(1R,2R,4S,5S)-3-oxatricyclo[3.2.1.02,4]octane
CID 10887852
(1R,5S)-3-oxatricyclo[3.2.1.02,4]octane
CID 11094562
(1S,2R,4R)-2-methoxybicyclo[2.2.1]heptane
CID 12504773

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of (2S,4R)-3-oxatricyclo[3.2.1.02,4]octane (CID 6432296) is (2S,4R)-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for (2S,4R)-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for (2S,4R)-3-oxatricyclo[3.2.1.02,4]octane is C1CC2CC1[C@H]1O[C@@H]21.
What is the InChIKey of (2S,4R)-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is OHNNZOOGWXZCPZ-CYDAGYADSA-N. The full InChI is InChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4?,5?,6-,7+.
What are the key properties of (2S,4R)-3-oxatricyclo[3.2.1.02,4]octane?
(2S,4R)-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 110.16 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 6432296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).