1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene

C10H18 — CID 91046577

IUPAC1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene
SMILESCCC1=C(C)C1(C)C(C)C
InChIInChI=1S/C10H18/c1-6-9-8(4)10(9,5)7(2)3/h7H,6H2,1-5H3
InChIKeyGBOYTGBNZWWXDR-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds2

About 1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene

1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene (PubChem CID 91046577) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene
PubChem CID91046577
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene
SMILESCCC1=C(C)C1(C)C(C)C
InChIInChI=1S/C10H18/c1-6-9-8(4)10(9,5)7(2)3/h7H,6H2,1-5H3
InChIKeyGBOYTGBNZWWXDR-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene?
The IUPAC name of 1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene (CID 91046577) is 1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene?
The canonical SMILES for 1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene is CCC1=C(C)C1(C)C(C)C.
What is the InChIKey of 1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene?
The InChIKey is GBOYTGBNZWWXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-6-9-8(4)10(9,5)7(2)3/h7H,6H2,1-5H3.
What are the key properties of 1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene?
1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-3-propan-2-ylcyclopropene is sourced from PubChem (CID 91046577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).