(2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C8H14O — CID 170264134

IUPAC(2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC[C@@H]1C[C@H]2CCC[C@H]2O1
InChIInChI=1S/C8H14O/c1-6-5-7-3-2-4-8(7)9-6/h6-8H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyRKGIBHYCDZLOGI-BWZBUEFSSA-N
MW126.20 g/mol
LogP1.96
Rot. Bonds

About (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

(2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 170264134) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID170264134
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC[C@@H]1C[C@H]2CCC[C@H]2O1
InChIInChI=1S/C8H14O/c1-6-5-7-3-2-4-8(7)9-6/h6-8H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyRKGIBHYCDZLOGI-BWZBUEFSSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan with MolForge

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Launch Full Analysis

Related Compounds

2-(iodomethyl)-hexahydro-2H-cyclopenta[b]furan
CID 13487203
rac-(3aR,6S,6aS)-6-iodo-hexahydro-2H-cyclopenta(b)furan
CID 137942440
Oxabicyclo(3,3,0)octan
CID 14039396
Oxabicyclopentane
CID 21071687
trans-2-Oxabicyclo[3.3.0]octane
CID 21595350
hexahydro-6a-pentyl-2H-cyclopenta(b)furan
CID 44146507
2-(Cyclopentylmethyl)oxolane
CID 14389092
6a-Methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 67559087
Tetrahydrofuran-3-butyl-2,5-dimethyl
CID 86145465
(2S,3R,3aS,6aS)-2-butyl-3-iodo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 15642881
4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 13334307
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039397

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 170264134) is (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is C[C@@H]1C[C@H]2CCC[C@H]2O1.
What is the InChIKey of (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is RKGIBHYCDZLOGI-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H14O/c1-6-5-7-3-2-4-8(7)9-6/h6-8H,2-5H2,1H3/t6-,7-,8-/m1/s1.
What are the key properties of (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
(2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 126.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 170264134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).