cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol

C12H22O2 — CID 21219626

IUPACcyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
SMILESC1CCCC1.OCC1CCC2OC2C1
InChIInChI=1S/C7H12O2.C5H10/c8-4-5-1-2-6-7(3-5)9-6;1-2-4-5-3-1/h5-8H,1-4H2;1-5H2
InChIKeyXJQNVBDKFMUJPN-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.50
Rot. Bonds1

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

cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol (PubChem CID 21219626) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol.

Molecular Properties

Compound Namecyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
PubChem CID21219626
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namecyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
SMILESC1CCCC1.OCC1CCC2OC2C1
InChIInChI=1S/C7H12O2.C5H10/c8-4-5-1-2-6-7(3-5)9-6;1-2-4-5-3-1/h5-8H,1-4H2;1-5H2
InChIKeyXJQNVBDKFMUJPN-UHFFFAOYSA-N
XLogP2.50
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]methanol
CID 124527310
hexane-1,6-diol;3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 87897648
hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 140784911
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-hydroxyacetate
CID 59330504
hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane
CID 4166920
CID 22630444
CID 22630444
CID 45052171
CID 45052171
3-[[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)spiro[5.5]undecan-3-yl]methyl]-7-oxabicyclo[4.1.0]heptane
CID 139929534
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane
CID 21344282
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774414
1,2-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethanone
CID 54560266

Frequently Asked Questions

What is the IUPAC name of cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol?
The IUPAC name of cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol (CID 21219626) is cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol.
What is the SMILES notation for cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol?
The canonical SMILES for cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol is C1CCCC1.OCC1CCC2OC2C1.
What is the InChIKey of cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol?
The InChIKey is XJQNVBDKFMUJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C5H10/c8-4-5-1-2-6-7(3-5)9-6;1-2-4-5-3-1/h5-8H,1-4H2;1-5H2.
What are the key properties of cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol?
cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol has a molecular weight of 198.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol is sourced from PubChem (CID 21219626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).