4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan

C13H24O — CID 20437270

IUPAC4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
SMILESCCCC1C2C(CCC2(CO1)C)(C)C
InChIInChI=1S/C13H24O/c1-5-6-10-11-12(2,3)7-8-13(11,4)9-14-10/h10-11H,5-9H2,1-4H3
InChIKeyRUGLVFBJOFCTCY-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.90
Rot. Bonds2

About 4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan

4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan (PubChem CID 20437270) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
PubChem CID20437270
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
SMILESCCCC1C2C(CCC2(CO1)C)(C)C
InChIInChI=1S/C13H24O/c1-5-6-10-11-12(2,3)7-8-13(11,4)9-14-10/h10-11H,5-9H2,1-4H3
InChIKeyRUGLVFBJOFCTCY-UHFFFAOYSA-N
XLogP3.90
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity221

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,11-Epoxyisodaucane
CID 22297709
(1R,4S,7R,11R,12S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
CID 637331
(1R,4S,7R,11R,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
CID 162937715
hexahydro-6a-pentyl-2H-cyclopenta(b)furan
CID 44146507
3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 138627533
(+)-6,11-Epoxy-isodaucane
CID 91751069
2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
CID 68733861
3,6,6a-Trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 135040130
(1S,2R,5S,6S,9S)-2-methyl-5-propan-2-yl-11-oxatricyclo[7.2.1.02,6]dodecane
CID 178269980
(+)-(1R,4S,5S,6S,7R)-6,11-Epoxyisodaucane
CID 22297710
6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039398
3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039402

Frequently Asked Questions

What is the IUPAC name of 4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The IUPAC name of 4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan (CID 20437270) is 4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan is CCCC1C2C(CCC2(CO1)C)(C)C.
What is the InChIKey of 4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The InChIKey is RUGLVFBJOFCTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-6-10-11-12(2,3)7-8-13(11,4)9-14-10/h10-11H,5-9H2,1-4H3.
What are the key properties of 4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan has a molecular weight of 196.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 20437270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).