(4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol

C8H14O2 — CID 96636936

IUPAC(4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol
SMILESO[C@@H]1CCO[C@@H]2CCC[C@H]12
InChIInChI=1S/C8H14O2/c9-7-4-5-10-8-3-1-2-6(7)8/h6-9H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyLFEOPNHPRUBPRS-BWZBUEFSSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds

About (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol

(4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol (PubChem CID 96636936) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol.

Molecular Properties

Compound Name(4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol
PubChem CID96636936
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol
SMILESO[C@@H]1CCO[C@@H]2CCC[C@H]12
InChIInChI=1S/C8H14O2/c9-7-4-5-10-8-3-1-2-6(7)8/h6-9H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyLFEOPNHPRUBPRS-BWZBUEFSSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol with MolForge

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Related Compounds

2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
CID 82412362
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine
CID 82418057
[(3aR,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanol
CID 124676363
(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
CID 11907324
2-(oxolan-2-yl)cyclopentan-1-amine
CID 45098422
(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 21122216
[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanamine
CID 124746900
oxolane-2,3-diol
CID 14778197
2-[(3aR,4S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]acetic acid
CID 124676375
(4S,4aR,8aR)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-4-ol
CID 13328681
tert-butyl N-[(4S,4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]carbamate
CID 160939669
2-cyclopropyloxetane
CID 102488279

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol?
The IUPAC name of (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol (CID 96636936) is (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol.
What is the SMILES notation for (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol?
The canonical SMILES for (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol is O[C@@H]1CCO[C@@H]2CCC[C@H]12.
What is the InChIKey of (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol?
The InChIKey is LFEOPNHPRUBPRS-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H14O2/c9-7-4-5-10-8-3-1-2-6(7)8/h6-9H,1-5H2/t6-,7-,8-/m1/s1.
What are the key properties of (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol?
(4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol has a molecular weight of 142.20 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol is sourced from PubChem (CID 96636936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).