1,1,2-trimethyl-3-propan-2-ylidenecyclopropane

C9H16 — CID 22952984

IUPAC1,1,2-trimethyl-3-propan-2-ylidenecyclopropane
SMILESCC(C)=C1C(C)C1(C)C
InChIInChI=1S/C9H16/c1-6(2)8-7(3)9(8,4)5/h7H,1-5H3
InChIKeyLXFXODQCCSWVBM-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds

About 1,1,2-trimethyl-3-propan-2-ylidenecyclopropane

1,1,2-trimethyl-3-propan-2-ylidenecyclopropane (PubChem CID 22952984) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-propan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1,1,2-trimethyl-3-propan-2-ylidenecyclopropane
PubChem CID22952984
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,1,2-trimethyl-3-propan-2-ylidenecyclopropane
SMILESCC(C)=C1C(C)C1(C)C
InChIInChI=1S/C9H16/c1-6(2)8-7(3)9(8,4)5/h7H,1-5H3
InChIKeyLXFXODQCCSWVBM-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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 1,1,2-trimethyl-3-propan-2-ylidenecyclopropane?
The IUPAC name of 1,1,2-trimethyl-3-propan-2-ylidenecyclopropane (CID 22952984) is 1,1,2-trimethyl-3-propan-2-ylidenecyclopropane.
What is the SMILES notation for 1,1,2-trimethyl-3-propan-2-ylidenecyclopropane?
The canonical SMILES for 1,1,2-trimethyl-3-propan-2-ylidenecyclopropane is CC(C)=C1C(C)C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-propan-2-ylidenecyclopropane?
The InChIKey is LXFXODQCCSWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-6(2)8-7(3)9(8,4)5/h7H,1-5H3.
What are the key properties of 1,1,2-trimethyl-3-propan-2-ylidenecyclopropane?
1,1,2-trimethyl-3-propan-2-ylidenecyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-propan-2-ylidenecyclopropane is sourced from PubChem (CID 22952984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).