1,3-diethylcyclohexene

C10H18 — CID 22129090

IUPAC1,3-diethylcyclohexene
SMILESCCC1=CC(CC)CCC1
InChIInChI=1S/C10H18/c1-3-9-6-5-7-10(4-2)8-9/h8-9H,3-7H2,1-2H3
InChIKeyYAKYGKXKPCTVFA-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds2

About 1,3-diethylcyclohexene

1,3-diethylcyclohexene (PubChem CID 22129090) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,3-diethylcyclohexene.

Molecular Properties

Compound Name1,3-diethylcyclohexene
PubChem CID22129090
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,3-diethylcyclohexene
SMILESCCC1=CC(CC)CCC1
InChIInChI=1S/C10H18/c1-3-9-6-5-7-10(4-2)8-9/h8-9H,3-7H2,1-2H3
InChIKeyYAKYGKXKPCTVFA-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
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 1,3-diethylcyclohexene?
The IUPAC name of 1,3-diethylcyclohexene (CID 22129090) is 1,3-diethylcyclohexene.
What is the SMILES notation for 1,3-diethylcyclohexene?
The canonical SMILES for 1,3-diethylcyclohexene is CCC1=CC(CC)CCC1.
What is the InChIKey of 1,3-diethylcyclohexene?
The InChIKey is YAKYGKXKPCTVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-9-6-5-7-10(4-2)8-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1,3-diethylcyclohexene?
1,3-diethylcyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylcyclohexene is sourced from PubChem (CID 22129090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).