1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene

C11H20 — CID 147174204

IUPAC1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCCC1C(C)CC2CCCC21
InChIInChI=1S/C11H20/c1-3-10-8(2)7-9-5-4-6-11(9)10/h8-11H,3-7H2,1-2H3
InChIKeyBYHZARLKFUTQRW-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds1

About 1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene

1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene (PubChem CID 147174204) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene.

Molecular Properties

Compound Name1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
PubChem CID147174204
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCCC1C(C)CC2CCCC21
InChIInChI=1S/C11H20/c1-3-10-8(2)7-9-5-4-6-11(9)10/h8-11H,3-7H2,1-2H3
InChIKeyBYHZARLKFUTQRW-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3-methylbicyclo[5.1.0]octane
CID 123245029
(4aR,8aS)-3-ethyl-2-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162292694
4-(2,4-diethylcyclohexyl)-5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552225
2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane
CID 161039599
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91264687
1-ethyl-2,3,4-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162289049
1-cyclohexyl-2,3-diethylcyclohexane
CID 143331465
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The IUPAC name of 1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene (CID 147174204) is 1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene.
What is the SMILES notation for 1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The canonical SMILES for 1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene is CCC1C(C)CC2CCCC21.
What is the InChIKey of 1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The InChIKey is BYHZARLKFUTQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-10-8(2)7-9-5-4-6-11(9)10/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene has a molecular weight of 152.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene is sourced from PubChem (CID 147174204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).