2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene

C11H20 — CID 123444179

IUPAC2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCCC1CC2CCCC2(C)C1
InChIInChI=1S/C11H20/c1-3-9-7-10-5-4-6-11(10,2)8-9/h9-10H,3-8H2,1-2H3
InChIKeyUTVQEBXGSQDMJN-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds1

About 2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene

2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene (PubChem CID 123444179) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene.

Molecular Properties

Compound Name2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
PubChem CID123444179
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCCC1CC2CCCC2(C)C1
InChIInChI=1S/C11H20/c1-3-9-7-10-5-4-6-11(10,2)8-9/h9-10H,3-8H2,1-2H3
InChIKeyUTVQEBXGSQDMJN-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The IUPAC name of 2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene (CID 123444179) is 2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene.
What is the SMILES notation for 2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The canonical SMILES for 2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene is CCC1CC2CCCC2(C)C1.
What is the InChIKey of 2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The InChIKey is UTVQEBXGSQDMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-9-7-10-5-4-6-11(10,2)8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene has a molecular weight of 152.28 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene is sourced from PubChem (CID 123444179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).