2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol

C10H18O2 — CID 138974496

IUPAC2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol
SMILESC[C@]12CCC[C@H]1OC[C@H]2CCO
InChIInChI=1S/C10H18O2/c1-10-5-2-3-9(10)12-7-8(10)4-6-11/h8-9,11H,2-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyBEZJGVMCVYFPNZ-OPRDCNLKSA-N
MW170.25 g/mol
LogP1.57
Rot. Bonds2

About 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol

2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol (PubChem CID 138974496) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol
PubChem CID138974496
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol
SMILESC[C@]12CCC[C@H]1OC[C@H]2CCO
InChIInChI=1S/C10H18O2/c1-10-5-2-3-9(10)12-7-8(10)4-6-11/h8-9,11H,2-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyBEZJGVMCVYFPNZ-OPRDCNLKSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol?
The IUPAC name of 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol (CID 138974496) is 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol.
What is the SMILES notation for 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol?
The canonical SMILES for 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol is C[C@]12CCC[C@H]1OC[C@H]2CCO.
What is the InChIKey of 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol?
The InChIKey is BEZJGVMCVYFPNZ-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H18O2/c1-10-5-2-3-9(10)12-7-8(10)4-6-11/h8-9,11H,2-7H2,1H3/t8-,9-,10-/m1/s1.
What are the key properties of 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol?
2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol has a molecular weight of 170.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol is sourced from PubChem (CID 138974496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).