7-oxabicyclo[4.1.0]heptan-3-ylmethanol

C7H12O2 — CID 10219438

IUPAC7-oxabicyclo[4.1.0]heptan-3-ylmethanol
SMILESOCC1CCC2OC2C1
InChIInChI=1S/C7H12O2/c8-4-5-1-2-6-7(3-5)9-6/h5-8H,1-4H2
InChIKeyNIJZFHNDUJXJMR-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.55
Rot. Bonds1

About 7-oxabicyclo[4.1.0]heptan-3-ylmethanol

7-oxabicyclo[4.1.0]heptan-3-ylmethanol (PubChem CID 10219438) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptan-3-ylmethanol.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]heptan-3-ylmethanol
PubChem CID10219438
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name7-oxabicyclo[4.1.0]heptan-3-ylmethanol
SMILESOCC1CCC2OC2C1
InChIInChI=1S/C7H12O2/c8-4-5-1-2-6-7(3-5)9-6/h5-8H,1-4H2
InChIKeyNIJZFHNDUJXJMR-UHFFFAOYSA-N
XLogP0.55
TPSA32.76 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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 130841928
[(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]methanol
CID 10701852
2-(7-Oxabicyclo[4.1.0]heptan-2-yl)ethanol
CID 12225025
2-Methyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 12820464
[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 13310278
4-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 18506384
5-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-ol
CID 18506398
[2-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 18506408
5-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 18506411
4,5-Di(hydroxymethyl)cyclohexene oxide
CID 18506417
[5-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 18506423
7-Oxabicyclo[4.1.0]heptan-2-ylmethanol
CID 18506442

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[4.1.0]heptan-3-ylmethanol?
The IUPAC name of 7-oxabicyclo[4.1.0]heptan-3-ylmethanol (CID 10219438) is 7-oxabicyclo[4.1.0]heptan-3-ylmethanol.
What is the SMILES notation for 7-oxabicyclo[4.1.0]heptan-3-ylmethanol?
The canonical SMILES for 7-oxabicyclo[4.1.0]heptan-3-ylmethanol is OCC1CCC2OC2C1.
What is the InChIKey of 7-oxabicyclo[4.1.0]heptan-3-ylmethanol?
The InChIKey is NIJZFHNDUJXJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-4-5-1-2-6-7(3-5)9-6/h5-8H,1-4H2.
What are the key properties of 7-oxabicyclo[4.1.0]heptan-3-ylmethanol?
7-oxabicyclo[4.1.0]heptan-3-ylmethanol has a molecular weight of 128.17 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]heptan-3-ylmethanol is sourced from PubChem (CID 10219438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).