(1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane

C10H18O — CID 15206214

IUPAC(1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)(C)C1CCC[C@H]2O[C@H]12
InChIInChI=1S/C10H18O/c1-10(2,3)7-5-4-6-8-9(7)11-8/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m1/s1
InChIKeySFXWZOTYAVHTJO-CFCGPWAMSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds

About (1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane

(1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 15206214) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
PubChem CID15206214
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)(C)C1CCC[C@H]2O[C@H]12
InChIInChI=1S/C10H18O/c1-10(2,3)7-5-4-6-8-9(7)11-8/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m1/s1
InChIKeySFXWZOTYAVHTJO-CFCGPWAMSA-N
XLogP2.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
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

(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 89065827
(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994
(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 98116091
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
(6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane
CID 126699218
(1S,8R)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 11435006
(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 92974259
1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161041308
2,5-ditert-butyl-7-oxabicyclo[2.2.1]heptane
CID 90134284
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 59720902
1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane (CID 15206214) is (1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane is CC(C)(C)C1CCC[C@H]2O[C@H]12.
What is the InChIKey of (1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is SFXWZOTYAVHTJO-CFCGPWAMSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,3)7-5-4-6-8-9(7)11-8/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m1/s1.
What are the key properties of (1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane?
(1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 15206214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).