(3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan

C11H16O — CID 58644924

IUPAC(3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan
SMILESC=C1C[C@H]2C(CC)=C(C)C[C@H]2O1
InChIInChI=1S/C11H16O/c1-4-9-7(2)5-11-10(9)6-8(3)12-11/h10-11H,3-6H2,1-2H3/t10-,11+/m0/s1
InChIKeyWFSXBAGUVRDCON-WDEREUQCSA-N
MW164.25 g/mol
LogP3.04
Rot. Bonds1

About (3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan

(3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan (PubChem CID 58644924) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan.

Molecular Properties

Compound Name(3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan
PubChem CID58644924
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan
SMILESC=C1C[C@H]2C(CC)=C(C)C[C@H]2O1
InChIInChI=1S/C11H16O/c1-4-9-7(2)5-11-10(9)6-8(3)12-11/h10-11H,3-6H2,1-2H3/t10-,11+/m0/s1
InChIKeyWFSXBAGUVRDCON-WDEREUQCSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene
CID 59476061
2,5-diethyl-4-methyl-2,3-dihydrofuran
CID 90443455
2,4-diethyl-3,3-dimethyl-6-methylideneoxane
CID 123458252
(4S)-5-ethyl-3-methylbicyclo[2.1.1]hex-1(5)-ene
CID 163416464
5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran
CID 70837503
2-ethyl-3-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 142316522
(3aS,7aS)-5,6-dimethyl-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one
CID 102042255
heptane;5-methyl-3-methylideneoxolan-2-one
CID 143320585
(5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 57292376
1-ethyl-2,4-dimethylcyclopentene
CID 123584374
(1S)-3-ethyl-4-methylcyclopent-3-en-1-ol
CID 67576321
3-chloro-2-ethyl-1-methylcyclohexene
CID 146174789

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan?
The IUPAC name of (3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan (CID 58644924) is (3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan.
What is the SMILES notation for (3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan?
The canonical SMILES for (3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan is C=C1C[C@H]2C(CC)=C(C)C[C@H]2O1.
What is the InChIKey of (3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan?
The InChIKey is WFSXBAGUVRDCON-WDEREUQCSA-N. The full InChI is InChI=1S/C11H16O/c1-4-9-7(2)5-11-10(9)6-8(3)12-11/h10-11H,3-6H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan?
(3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan has a molecular weight of 164.25 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan is sourced from PubChem (CID 58644924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).