(3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol

C17H32O2 — CID 56617457

IUPAC(3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol
SMILESCCCCC(C)(C)[C@H](O)CC[C@@H]1CC[C@@H]2OCC[C@H]12
InChIInChI=1S/C17H32O2/c1-4-5-11-17(2,3)16(18)9-7-13-6-8-15-14(13)10-12-19-15/h13-16,18H,4-12H2,1-3H3/t13-,14+,15-,16+/m0/s1
InChIKeyPEUICGSDQPGURA-XUWVNRHRSA-N
MW268.44 g/mol
LogP4.16
Rot. Bonds7

About (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol

(3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol (PubChem CID 56617457) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol
PubChem CID56617457
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol
SMILESCCCCC(C)(C)[C@H](O)CC[C@@H]1CC[C@@H]2OCC[C@H]12
InChIInChI=1S/C17H32O2/c1-4-5-11-17(2,3)16(18)9-7-13-6-8-15-14(13)10-12-19-15/h13-16,18H,4-12H2,1-3H3/t13-,14+,15-,16+/m0/s1
InChIKeyPEUICGSDQPGURA-XUWVNRHRSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol 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

(3R,4R)-1-[(2S,3aR,4S,5R,6aS)-5-methyl-2-pentyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluorooctan-3-ol
CID 57321713
2,4,4,5-tetramethyl-3,3a,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
CID 59012669
2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol
CID 138974496
4-[3-(2,3-dimethylbutan-2-yl)octyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 21328906
4,4,5-Trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan
CID 58645272
(2R)-4-[(2R,3S,3aR,3bR,6aS,7aS)-3,3b,4,6,6a-pentamethyl-2,3,3a,4,5,6,7,7a-octahydropentaleno[2,1-b]furan-2-yl]-2-methylbutan-1-ol
CID 58825203
(1S,2R,3S)-3-(3-hydroxyhexyl)-2-(6-methylheptyl)cyclopentan-1-ol
CID 70513609
(3aR,4R,5R,6aS)-4-[(3S)-3-hydroxyoctyl]-2-(5-methylhexyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 70942803
(2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol
CID 71207455
4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan
CID 89087421
4,6,6-Trimethyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan
CID 89345516
(2R,3S,3aR,4R,6aS)-2-[(3R)-4-iodo-3-methylbutyl]-3,4,5,5-tetramethyl-4-propan-2-yl-2,3,3a,6-tetrahydrocyclopenta[b]furan-6a-ol
CID 89372565

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol?
The IUPAC name of (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol (CID 56617457) is (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol.
What is the SMILES notation for (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol?
The canonical SMILES for (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol is CCCCC(C)(C)[C@H](O)CC[C@@H]1CC[C@@H]2OCC[C@H]12.
What is the InChIKey of (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol?
The InChIKey is PEUICGSDQPGURA-XUWVNRHRSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-5-11-17(2,3)16(18)9-7-13-6-8-15-14(13)10-12-19-15/h13-16,18H,4-12H2,1-3H3/t13-,14+,15-,16+/m0/s1.
What are the key properties of (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol?
(3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol has a molecular weight of 268.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-dimethyloctan-3-ol is sourced from PubChem (CID 56617457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).