1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane

C9H16 — CID 56629080

IUPAC1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane
SMILESCCC1(C)CC1=C(C)C
InChIInChI=1S/C9H16/c1-5-9(4)6-8(9)7(2)3/h5-6H2,1-4H3
InChIKeyNKHJJSZPHWHNTQ-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds1

About 1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane

1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane (PubChem CID 56629080) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane
PubChem CID56629080
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane
SMILESCCC1(C)CC1=C(C)C
InChIInChI=1S/C9H16/c1-5-9(4)6-8(9)7(2)3/h5-6H2,1-4H3
InChIKeyNKHJJSZPHWHNTQ-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Hexene, 2,3,5,5-tetramethyl-
CID 141765
Cyclopropane, 1,1-dimethyl-2-(1-methylethenyl)-
CID 136890
Tetramethylcyclopropene
CID 141282
4,5,6,7-Tetramethylspiro[2.4]hepta-4,6-diene
CID 11768723
2-Hexene, 2,3,4,4-tetramethyl-
CID 106741
(2Z)-1-ethyl-2-(2-ethyl-2-methylcyclopropylidene)-1-methylcyclopropane
CID 134993582
Propane, 2-(tetramethylcyclopropylidene)-
CID 557285
(E)-4-ethyl-2-fluoro-3,4-dimethylhex-2-ene
CID 167317174
Octamethyl-1,4-cyclohexadiene
CID 600937
(Z)-2,2,4,5,7,7-hexamethyloct-4-ene
CID 140681309
1-[(E)-but-2-en-2-yl]-1-methylcyclopropane
CID 14687797
2,3,5,5-Tetramethyl-2-heptene
CID 129659559

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane?
The IUPAC name of 1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane (CID 56629080) is 1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane.
What is the SMILES notation for 1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane?
The canonical SMILES for 1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane is CCC1(C)CC1=C(C)C.
What is the InChIKey of 1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane?
The InChIKey is NKHJJSZPHWHNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-5-9(4)6-8(9)7(2)3/h5-6H2,1-4H3.
What are the key properties of 1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane?
1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-2-propan-2-ylidenecyclopropane is sourced from PubChem (CID 56629080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).