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

C8H14O — CID 89226718

IUPAC(6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESC[C@]12CCCC1CCO2
InChIInChI=1S/C8H14O/c1-8-5-2-3-7(8)4-6-9-8/h7H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyDFOQBUCGOHRLKF-MQWKRIRWSA-N
MW126.20 g/mol
LogP1.97
Rot. Bonds

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

(6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (PubChem CID 89226718) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name(6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
PubChem CID89226718
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESC[C@]12CCCC1CCO2
InChIInChI=1S/C8H14O/c1-8-5-2-3-7(8)4-6-9-8/h7H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyDFOQBUCGOHRLKF-MQWKRIRWSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The IUPAC name of (6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (CID 89226718) is (6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.
What is the SMILES notation for (6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The canonical SMILES for (6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is C[C@]12CCCC1CCO2.
What is the InChIKey of (6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The InChIKey is DFOQBUCGOHRLKF-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H14O/c1-8-5-2-3-7(8)4-6-9-8/h7H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
(6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan has a molecular weight of 126.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 89226718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).