[4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol

C8H14O3 — CID 18506417

IUPAC[4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
SMILESOCC1CC2OC2CC1CO
InChIInChI=1S/C8H14O3/c9-3-5-1-7-8(11-7)2-6(5)4-10/h5-10H,1-4H2
InChIKeySNFKAMATHQUJAZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.24
Rot. Bonds2

About [4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol

[4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol (PubChem CID 18506417) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
PubChem CID18506417
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
SMILESOCC1CC2OC2CC1CO
InChIInChI=1S/C8H14O3/c9-3-5-1-7-8(11-7)2-6(5)4-10/h5-10H,1-4H2
InChIKeySNFKAMATHQUJAZ-UHFFFAOYSA-N
XLogP-0.24
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Oxabicyclo[4.1.0]heptane-3-methanol, alpha,alpha,6-trimethyl-
CID 93790
7-Oxabicyclo[4.1.0]heptane-3-methanol
CID 10219438
(1alpha,3beta,6alpha)-alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methanol
CID 6452944
4-(Oxiran-2-yl)cyclohexane-1,2-diol
CID 148477
[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 130841928
(1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol
CID 130842948
(1alpha,3alpha,6alpha)-alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methanol
CID 6452945
(2S)-2-[(1R,3R,6S)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]propan-1-ol
CID 12931523
2-(7-Oxabicyclo[4.1.0]heptan-2-yl)ethanol
CID 12225025
[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 13310278
1,3,3a,4,5,6,7,7a-Octahydro-2-benzofuran-5-ol
CID 14062933
[2-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 18506408

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol (CID 18506417) is [4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol is OCC1CC2OC2CC1CO.
What is the InChIKey of [4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol?
The InChIKey is SNFKAMATHQUJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-3-5-1-7-8(11-7)2-6(5)4-10/h5-10H,1-4H2.
What are the key properties of [4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol?
[4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol has a molecular weight of 158.20 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol is sourced from PubChem (CID 18506417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).