[(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol

C9H16O2 — CID 125456479

IUPAC[(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol
SMILESC[C@@H]1C[C@]2(CO)CCC[C@H]2O1
InChIInChI=1S/C9H16O2/c1-7-5-9(6-10)4-2-3-8(9)11-7/h7-8,10H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyGGRSSSDAPGZOGS-HLTSFMKQSA-N
MW156.22 g/mol
LogP1.33
Rot. Bonds1

About [(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol

[(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol (PubChem CID 125456479) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol.

Molecular Properties

Compound Name[(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol
PubChem CID125456479
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol
SMILESC[C@@H]1C[C@]2(CO)CCC[C@H]2O1
InChIInChI=1S/C9H16O2/c1-7-5-9(6-10)4-2-3-8(9)11-7/h7-8,10H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyGGRSSSDAPGZOGS-HLTSFMKQSA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

[(2R,3aR,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol
CID 125456485
[(2R,3aS,7aR)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-3a-yl]methanol
CID 125457537
methyl (2S,3aR,6aS)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate
CID 11735560
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
CID 68744336
[(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol
CID 170564055
(2R,3aS,7aR)-3a-(bromomethyl)-2-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 125455630
(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol
CID 130151002
[1-(1,3-dioxolan-2-yl)cyclopentyl]methanol
CID 15324211
(3aS,6aS)-6a-(hydroxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol
CID 131201463
[(3aS,7aS)-1,2,3,3a,5,6,6a,7-octahydrocyclopenta[a]pentalen-7a-yl]methanol
CID 130978550
[(1R,3R)-1-cyclohexyl-3-methylcyclopentyl]methanol
CID 134970135
[(3aS,5R,7aR)-5-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-yl]methanol
CID 125458736

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol?
The IUPAC name of [(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol (CID 125456479) is [(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol.
What is the SMILES notation for [(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol?
The canonical SMILES for [(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol is C[C@@H]1C[C@]2(CO)CCC[C@H]2O1.
What is the InChIKey of [(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol?
The InChIKey is GGRSSSDAPGZOGS-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-9(6-10)4-2-3-8(9)11-7/h7-8,10H,2-6H2,1H3/t7-,8-,9+/m1/s1.
What are the key properties of [(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol?
[(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methanol is sourced from PubChem (CID 125456479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).