10-ethylspiro[4.5]dec-3-ene

C12H20 — CID 54060600

IUPAC10-ethylspiro[4.5]dec-3-ene
SMILESCCC1CCCCC12C=CCC2
InChIInChI=1S/C12H20/c1-2-11-7-3-4-8-12(11)9-5-6-10-12/h5,9,11H,2-4,6-8,10H2,1H3
InChIKeyLZKQPMRAABHPRW-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds1

About 10-ethylspiro[4.5]dec-3-ene

10-ethylspiro[4.5]dec-3-ene (PubChem CID 54060600) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 10-ethylspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name10-ethylspiro[4.5]dec-3-ene
PubChem CID54060600
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name10-ethylspiro[4.5]dec-3-ene
SMILESCCC1CCCCC12C=CCC2
InChIInChI=1S/C12H20/c1-2-11-7-3-4-8-12(11)9-5-6-10-12/h5,9,11H,2-4,6-8,10H2,1H3
InChIKeyLZKQPMRAABHPRW-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-ethylspiro[4.5]dec-3-ene?
The IUPAC name of 10-ethylspiro[4.5]dec-3-ene (CID 54060600) is 10-ethylspiro[4.5]dec-3-ene.
What is the SMILES notation for 10-ethylspiro[4.5]dec-3-ene?
The canonical SMILES for 10-ethylspiro[4.5]dec-3-ene is CCC1CCCCC12C=CCC2.
What is the InChIKey of 10-ethylspiro[4.5]dec-3-ene?
The InChIKey is LZKQPMRAABHPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-2-11-7-3-4-8-12(11)9-5-6-10-12/h5,9,11H,2-4,6-8,10H2,1H3.
What are the key properties of 10-ethylspiro[4.5]dec-3-ene?
10-ethylspiro[4.5]dec-3-ene has a molecular weight of 164.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethylspiro[4.5]dec-3-ene is sourced from PubChem (CID 54060600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).