1-ethyl-1,2,3,3a-tetrahydropentalene

C10H14 — CID 18402358

IUPAC1-ethyl-1,2,3,3a-tetrahydropentalene
SMILESCCC1CCC2C=CC=C21
InChIInChI=1S/C10H14/c1-2-8-6-7-9-4-3-5-10(8)9/h3-5,8-9H,2,6-7H2,1H3
InChIKeyLSCPIVSFKOUTEM-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds1

About 1-ethyl-1,2,3,3a-tetrahydropentalene

1-ethyl-1,2,3,3a-tetrahydropentalene (PubChem CID 18402358) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-ethyl-1,2,3,3a-tetrahydropentalene.

Molecular Properties

Compound Name1-ethyl-1,2,3,3a-tetrahydropentalene
PubChem CID18402358
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-ethyl-1,2,3,3a-tetrahydropentalene
SMILESCCC1CCC2C=CC=C21
InChIInChI=1S/C10H14/c1-2-8-6-7-9-4-3-5-10(8)9/h3-5,8-9H,2,6-7H2,1H3
InChIKeyLSCPIVSFKOUTEM-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2,3,3a-tetrahydropentalene?
The IUPAC name of 1-ethyl-1,2,3,3a-tetrahydropentalene (CID 18402358) is 1-ethyl-1,2,3,3a-tetrahydropentalene.
What is the SMILES notation for 1-ethyl-1,2,3,3a-tetrahydropentalene?
The canonical SMILES for 1-ethyl-1,2,3,3a-tetrahydropentalene is CCC1CCC2C=CC=C21.
What is the InChIKey of 1-ethyl-1,2,3,3a-tetrahydropentalene?
The InChIKey is LSCPIVSFKOUTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-8-6-7-9-4-3-5-10(8)9/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of 1-ethyl-1,2,3,3a-tetrahydropentalene?
1-ethyl-1,2,3,3a-tetrahydropentalene has a molecular weight of 134.22 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,3,3a-tetrahydropentalene is sourced from PubChem (CID 18402358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).