4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan

C13H24O — CID 20743812

IUPAC4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan
SMILESCCC1CC(CC)C2C1COC2(C)C
InChIInChI=1S/C13H24O/c1-5-9-7-10(6-2)12-11(9)8-14-13(12,3)4/h9-12H,5-8H2,1-4H3
InChIKeyDLQFDIDSAMVIKR-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.48
Rot. Bonds2

About 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan

4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan (PubChem CID 20743812) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan.

Molecular Properties

Compound Name4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan
PubChem CID20743812
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan
SMILESCCC1CC(CC)C2C1COC2(C)C
InChIInChI=1S/C13H24O/c1-5-9-7-10(6-2)12-11(9)8-14-13(12,3)4/h9-12H,5-8H2,1-4H3
InChIKeyDLQFDIDSAMVIKR-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]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
Guaioxide
CID 12302135
Liguloxide
CID 6429300
(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
(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
CID 91746519
hexahydro-6a-pentyl-2H-cyclopenta(b)furan
CID 44146507
(5R,6aS)-1,5-dimethyl-3,3-bis(trifluoromethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan
CID 158796985
Epi-ligulyl oxide
CID 91748045
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

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan?
The IUPAC name of 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan (CID 20743812) is 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan.
What is the SMILES notation for 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan?
The canonical SMILES for 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan is CCC1CC(CC)C2C1COC2(C)C.
What is the InChIKey of 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan?
The InChIKey is DLQFDIDSAMVIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-9-7-10(6-2)12-11(9)8-14-13(12,3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan?
4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan has a molecular weight of 196.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan is sourced from PubChem (CID 20743812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).