3-oxabicyclo[4.1.0]heptan-6-ylmethanol

C7H12O2 — CID 131073665

IUPAC3-oxabicyclo[4.1.0]heptan-6-ylmethanol
SMILESOCC12CCOCC1C2
InChIInChI=1S/C7H12O2/c8-5-7-1-2-9-4-6(7)3-7/h6,8H,1-5H2
InChIKeyYQJDBOOCKTUOIQ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.41
Rot. Bonds1

About 3-oxabicyclo[4.1.0]heptan-6-ylmethanol

3-oxabicyclo[4.1.0]heptan-6-ylmethanol (PubChem CID 131073665) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-oxabicyclo[4.1.0]heptan-6-ylmethanol.

Molecular Properties

Compound Name3-oxabicyclo[4.1.0]heptan-6-ylmethanol
PubChem CID131073665
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-oxabicyclo[4.1.0]heptan-6-ylmethanol
SMILESOCC12CCOCC1C2
InChIInChI=1S/C7H12O2/c8-5-7-1-2-9-4-6(7)3-7/h6,8H,1-5H2
InChIKeyYQJDBOOCKTUOIQ-UHFFFAOYSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(oxolan-3-yl)oxan-4-yl]methanamine
CID 126973588
[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-(1-piperidin-1-ylcyclohexyl)methanone
CID 137335522
[4-[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]piperidin-1-yl]-phenylmethanone
CID 137337654
3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride
CID 86762676
[(3aR,7aR)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137343826
[(3aR,7aR)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137338769
[(3aR,7aR)-2-[3-(2-methoxyphenoxy)propyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137343561
[(3aR,7aR)-2-(3,4-dimethoxyphenyl)sulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137345027
[4-(oxetan-3-ylmethyl)oxan-4-yl]methanol
CID 130135695
4,4,5,5-tetramethyl-2-[(1R,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-1,3,2-dioxaborolane
CID 155978457
[(3aR,7aR)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137343387
1-[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-indol-1-ylethanone
CID 137345766

Frequently Asked Questions

What is the IUPAC name of 3-oxabicyclo[4.1.0]heptan-6-ylmethanol?
The IUPAC name of 3-oxabicyclo[4.1.0]heptan-6-ylmethanol (CID 131073665) is 3-oxabicyclo[4.1.0]heptan-6-ylmethanol.
What is the SMILES notation for 3-oxabicyclo[4.1.0]heptan-6-ylmethanol?
The canonical SMILES for 3-oxabicyclo[4.1.0]heptan-6-ylmethanol is OCC12CCOCC1C2.
What is the InChIKey of 3-oxabicyclo[4.1.0]heptan-6-ylmethanol?
The InChIKey is YQJDBOOCKTUOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-5-7-1-2-9-4-6(7)3-7/h6,8H,1-5H2.
What are the key properties of 3-oxabicyclo[4.1.0]heptan-6-ylmethanol?
3-oxabicyclo[4.1.0]heptan-6-ylmethanol has a molecular weight of 128.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[4.1.0]heptan-6-ylmethanol is sourced from PubChem (CID 131073665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).