1,1-diethyl-2-propan-2-ylidenecyclopropane

C10H18 — CID 174037835

IUPAC1,1-diethyl-2-propan-2-ylidenecyclopropane
SMILESCCC1(CC)CC1=C(C)C
InChIInChI=1S/C10H18/c1-5-10(6-2)7-9(10)8(3)4/h5-7H2,1-4H3
InChIKeyADMYLHNGWXLALN-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds2

About 1,1-diethyl-2-propan-2-ylidenecyclopropane

1,1-diethyl-2-propan-2-ylidenecyclopropane (PubChem CID 174037835) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,1-diethyl-2-propan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1,1-diethyl-2-propan-2-ylidenecyclopropane
PubChem CID174037835
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,1-diethyl-2-propan-2-ylidenecyclopropane
SMILESCCC1(CC)CC1=C(C)C
InChIInChI=1S/C10H18/c1-5-10(6-2)7-9(10)8(3)4/h5-7H2,1-4H3
InChIKeyADMYLHNGWXLALN-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 1,1-diethyl-2-propan-2-ylidenecyclopropane?
The IUPAC name of 1,1-diethyl-2-propan-2-ylidenecyclopropane (CID 174037835) is 1,1-diethyl-2-propan-2-ylidenecyclopropane.
What is the SMILES notation for 1,1-diethyl-2-propan-2-ylidenecyclopropane?
The canonical SMILES for 1,1-diethyl-2-propan-2-ylidenecyclopropane is CCC1(CC)CC1=C(C)C.
What is the InChIKey of 1,1-diethyl-2-propan-2-ylidenecyclopropane?
The InChIKey is ADMYLHNGWXLALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-5-10(6-2)7-9(10)8(3)4/h5-7H2,1-4H3.
What are the key properties of 1,1-diethyl-2-propan-2-ylidenecyclopropane?
1,1-diethyl-2-propan-2-ylidenecyclopropane 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 1,1-diethyl-2-propan-2-ylidenecyclopropane is sourced from PubChem (CID 174037835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).