7-oxabicyclo[4.1.0]heptan-2-ylmethanol

C7H12O2 — CID 18506442

IUPAC7-oxabicyclo[4.1.0]heptan-2-ylmethanol
SMILESOCC1CCCC2OC12
InChIInChI=1S/C7H12O2/c8-4-5-2-1-3-6-7(5)9-6/h5-8H,1-4H2
InChIKeyFZJDPAKPTLFECC-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.55
Rot. Bonds1

About 7-oxabicyclo[4.1.0]heptan-2-ylmethanol

7-oxabicyclo[4.1.0]heptan-2-ylmethanol (PubChem CID 18506442) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptan-2-ylmethanol.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]heptan-2-ylmethanol
PubChem CID18506442
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name7-oxabicyclo[4.1.0]heptan-2-ylmethanol
SMILESOCC1CCCC2OC12
InChIInChI=1S/C7H12O2/c8-4-5-2-1-3-6-7(5)9-6/h5-8H,1-4H2
InChIKeyFZJDPAKPTLFECC-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

(2-Oxabicyclo(4.1.0)heptan-7-yl)methanol
CID 68652458
7-Oxabicyclo[4.1.0]heptane-3-methanol
CID 10219438
2-(7-Oxabicyclo[4.1.0]heptan-1-yl)ethanol
CID 12835191
2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol
CID 130770273
[(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
5-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-ol
CID 18506398
[5-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanol
CID 18506413
[5-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 18506423
5-Ethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 20675022

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[4.1.0]heptan-2-ylmethanol?
The IUPAC name of 7-oxabicyclo[4.1.0]heptan-2-ylmethanol (CID 18506442) is 7-oxabicyclo[4.1.0]heptan-2-ylmethanol.
What is the SMILES notation for 7-oxabicyclo[4.1.0]heptan-2-ylmethanol?
The canonical SMILES for 7-oxabicyclo[4.1.0]heptan-2-ylmethanol is OCC1CCCC2OC12.
What is the InChIKey of 7-oxabicyclo[4.1.0]heptan-2-ylmethanol?
The InChIKey is FZJDPAKPTLFECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-4-5-2-1-3-6-7(5)9-6/h5-8H,1-4H2.
What are the key properties of 7-oxabicyclo[4.1.0]heptan-2-ylmethanol?
7-oxabicyclo[4.1.0]heptan-2-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-2-ylmethanol is sourced from PubChem (CID 18506442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).