(1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol

C12H20O2 — CID 101354200

IUPAC(1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESC=CC[C@]1(O)CCC(C)(C)[C@H]2O[C@]21C
InChIInChI=1S/C12H20O2/c1-5-6-12(13)8-7-10(2,3)9-11(12,4)14-9/h5,9,13H,1,6-8H2,2-4H3/t9-,11-,12+/m1/s1
InChIKeyMHIMPNNRYOJHHI-JLLWLGSASA-N
MW196.29 g/mol
LogP2.27
Rot. Bonds2

About (1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol

(1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol (PubChem CID 101354200) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol
PubChem CID101354200
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESC=CC[C@]1(O)CCC(C)(C)[C@H]2O[C@]21C
InChIInChI=1S/C12H20O2/c1-5-6-12(13)8-7-10(2,3)9-11(12,4)14-9/h5,9,13H,1,6-8H2,2-4H3/t9-,11-,12+/m1/s1
InChIKeyMHIMPNNRYOJHHI-JLLWLGSASA-N
XLogP2.27
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol (CID 101354200) is (1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol is C=CC[C@]1(O)CCC(C)(C)[C@H]2O[C@]21C.
What is the InChIKey of (1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol?
The InChIKey is MHIMPNNRYOJHHI-JLLWLGSASA-N. The full InChI is InChI=1S/C12H20O2/c1-5-6-12(13)8-7-10(2,3)9-11(12,4)14-9/h5,9,13H,1,6-8H2,2-4H3/t9-,11-,12+/m1/s1.
What are the key properties of (1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol?
(1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-1,5,5-trimethyl-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 101354200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).