(2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol

C10H18O2 — CID 130964751

IUPAC(2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESCC(C)(C)[C@H]1CC2OC2[C@H](O)C1
InChIInChI=1S/C10H18O2/c1-10(2,3)6-4-7(11)9-8(5-6)12-9/h6-9,11H,4-5H2,1-3H3/t6-,7-,8?,9?/m1/s1
InChIKeyRGMOZKUXDFAKFB-PZYMCFGQSA-N
MW170.25 g/mol
LogP1.57
Rot. Bonds

About (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol

(2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol (PubChem CID 130964751) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol
PubChem CID130964751
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESCC(C)(C)[C@H]1CC2OC2[C@H](O)C1
InChIInChI=1S/C10H18O2/c1-10(2,3)6-4-7(11)9-8(5-6)12-9/h6-9,11H,4-5H2,1-3H3/t6-,7-,8?,9?/m1/s1
InChIKeyRGMOZKUXDFAKFB-PZYMCFGQSA-N
XLogP1.57
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol with MolForge

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Related Compounds

(1S,2R,4R,5R,7S)-3,8-dioxatricyclo[5.1.0.02,4]octan-5-ol
CID 130756719
5-tert-butyl-2,3-dimethylcyclohexan-1-ol
CID 58534407
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
(1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol
CID 98516260
2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
CID 130124205
(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
CID 118263170
2,5-ditert-butyl-7-oxabicyclo[2.2.1]heptane
CID 90134284
(1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol
CID 12632631
(3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 58853131
3,5-ditert-butyloxan-2-ol
CID 139835663
(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane
CID 172509136
N-(3,4-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide
CID 58948074

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol (CID 130964751) is (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol is CC(C)(C)[C@H]1CC2OC2[C@H](O)C1.
What is the InChIKey of (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol?
The InChIKey is RGMOZKUXDFAKFB-PZYMCFGQSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2,3)6-4-7(11)9-8(5-6)12-9/h6-9,11H,4-5H2,1-3H3/t6-,7-,8?,9?/m1/s1.
What are the key properties of (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol?
(2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 130964751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).