3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

C10H18O — CID 135040130

IUPAC3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCC1COC2(C)C(C)CCC12
InChIInChI=1S/C10H18O/c1-7-6-11-10(3)8(2)4-5-9(7)10/h7-9H,4-6H2,1-3H3
InChIKeyYKXWITUWJBNXFG-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds

About 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (PubChem CID 135040130) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
PubChem CID135040130
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCC1COC2(C)C(C)CCC12
InChIInChI=1S/C10H18O/c1-7-6-11-10(3)8(2)4-5-9(7)10/h7-9H,4-6H2,1-3H3
InChIKeyYKXWITUWJBNXFG-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan with MolForge

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Related Compounds

2H-3,9a-Methanocyclopent(b)oxocin, octahydro-2,2,6,9-tetramethyl-, (3R,6S,6aR,9S,9aS)-
CID 12302138
Liguloxide
CID 6429300
Guaioxide
CID 12302135
(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
CID 10955170
(2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
CID 88381
CID 139584090
CID 139584090
hexahydro-6a-pentyl-2H-cyclopenta(b)furan
CID 44146507
(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
CID 91746519
6a-Methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 67559087
2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
CID 68733861
Bulnesoxid
CID 12302136
4-Methyl-1-oxaspiro[4.4]nonane
CID 101047494

Frequently Asked Questions

What is the IUPAC name of 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The IUPAC name of 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (CID 135040130) is 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The canonical SMILES for 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is CC1COC2(C)C(C)CCC12.
What is the InChIKey of 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The InChIKey is YKXWITUWJBNXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-6-11-10(3)8(2)4-5-9(7)10/h7-9H,4-6H2,1-3H3.
What are the key properties of 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan has a molecular weight of 154.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 135040130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).