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

C8H14O — CID 58779170

IUPAC(3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC[C@@H]1C[C@@H]2CCO[C@@H]2C1
InChIInChI=1S/C8H14O/c1-6-4-7-2-3-9-8(7)5-6/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyXFPYXPKQTONLOQ-GJMOJQLCSA-N
MW126.20 g/mol
LogP1.82
Rot. Bonds

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

(3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 58779170) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID58779170
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC[C@@H]1C[C@@H]2CCO[C@@H]2C1
InChIInChI=1S/C8H14O/c1-6-4-7-2-3-9-8(7)5-6/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyXFPYXPKQTONLOQ-GJMOJQLCSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Launch Full Analysis

Related Compounds

Oxabicyclo(3,3,0)octan
CID 14039396
trans-2-Oxabicyclo[3.3.0]octane
CID 21595350
3,6,6a-Trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 135040130
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
6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039398
3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039400
3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039402
(3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039403
(3R,6R)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 54389242
(3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 54389243
(3S,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 54389244

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of (3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 58779170) is (3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is C[C@@H]1C[C@@H]2CCO[C@@H]2C1.
What is the InChIKey of (3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is XFPYXPKQTONLOQ-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-7-2-3-9-8(7)5-6/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
(3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 126.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 58779170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).