5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

C8H14O — CID 59346792

IUPAC5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCC1CC2COCC2C1
InChIInChI=1S/C8H14O/c1-6-2-7-4-9-5-8(7)3-6/h6-8H,2-5H2,1H3
InChIKeyYOUFNJWRDOGJHH-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds

About 5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (PubChem CID 59346792) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
PubChem CID59346792
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCC1CC2COCC2C1
InChIInChI=1S/C8H14O/c1-6-2-7-4-9-5-8(7)3-6/h6-8H,2-5H2,1H3
InChIKeyYOUFNJWRDOGJHH-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14039398
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CID 14039402
CID 14039402
CID 14039403
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CID 20743812
CID 20743812
CID 20743823
CID 20743823
CID 21019492
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CID 54389242
CID 54389242

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The IUPAC name of 5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (CID 59346792) is 5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is CC1CC2COCC2C1.
What is the InChIKey of 5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The InChIKey is YOUFNJWRDOGJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-2-7-4-9-5-8(7)3-6/h6-8H,2-5H2,1H3.
What are the key properties of 5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan has a molecular weight of 126.20 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 59346792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).