(1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol

C6H10O2 — CID 178200312

IUPAC(1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol
SMILESO[C@@H]1[C@H]2COCC[C@@H]12
InChIInChI=1S/C6H10O2/c7-6-4-1-2-8-3-5(4)6/h4-7H,1-3H2/t4-,5+,6+/m1/s1
InChIKeyNMFTVLFCQVCYNA-SRQIZXRXSA-N
MW114.14 g/mol
LogP0.01
Rot. Bonds

About (1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol

(1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol (PubChem CID 178200312) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name(1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol
PubChem CID178200312
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol
SMILESO[C@@H]1[C@H]2COCC[C@@H]12
InChIInChI=1S/C6H10O2/c7-6-4-1-2-8-3-5(4)6/h4-7H,1-3H2/t4-,5+,6+/m1/s1
InChIKeyNMFTVLFCQVCYNA-SRQIZXRXSA-N
XLogP0.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-oxolan-3-ol;hydrochloride
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ethane;(3R)-oxolan-3-ol
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CID 170516792
CID 170516792
oxolan-3-ol;propane
CID 144858845
(3S)-3-[(2R)-oxiran-2-yl]oxolane
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(3S)-3-cyclopropyl-4-methyloxane
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ethane;oxepane-3,5-diol
CID 176685419
(1aR,2S,3S,3aS,6aR,6bS)-1a,2,3,3a,4,6,6a,6b-octahydrooxireno[2,3-g][2]benzofuran-2,3-diol
CID 25186851

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol?
The IUPAC name of (1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol (CID 178200312) is (1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for (1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for (1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol is O[C@@H]1[C@H]2COCC[C@@H]12.
What is the InChIKey of (1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol?
The InChIKey is NMFTVLFCQVCYNA-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H10O2/c7-6-4-1-2-8-3-5(4)6/h4-7H,1-3H2/t4-,5+,6+/m1/s1.
What are the key properties of (1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol?
(1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol has a molecular weight of 114.14 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 178200312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).