1,1,2-trimethyl-3-methylidenecyclopropane

C7H12 — CID 556843

IUPAC1,1,2-trimethyl-3-methylidenecyclopropane
SMILESC=C1C(C)C1(C)C
InChIInChI=1S/C7H12/c1-5-6(2)7(5,3)4/h6H,1H2,2-4H3
InChIKeyFHTJDPVQRKILMW-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.22
Rot. Bonds

About 1,1,2-trimethyl-3-methylidenecyclopropane

1,1,2-trimethyl-3-methylidenecyclopropane (PubChem CID 556843) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-methylidenecyclopropane.

Molecular Properties

Compound Name1,1,2-trimethyl-3-methylidenecyclopropane
PubChem CID556843
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1,1,2-trimethyl-3-methylidenecyclopropane
SMILESC=C1C(C)C1(C)C
InChIInChI=1S/C7H12/c1-5-6(2)7(5,3)4/h6H,1H2,2-4H3
InChIKeyFHTJDPVQRKILMW-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.22
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-methylidenecyclopropane?
The IUPAC name of 1,1,2-trimethyl-3-methylidenecyclopropane (CID 556843) is 1,1,2-trimethyl-3-methylidenecyclopropane.
What is the SMILES notation for 1,1,2-trimethyl-3-methylidenecyclopropane?
The canonical SMILES for 1,1,2-trimethyl-3-methylidenecyclopropane is C=C1C(C)C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-methylidenecyclopropane?
The InChIKey is FHTJDPVQRKILMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-5-6(2)7(5,3)4/h6H,1H2,2-4H3.
What are the key properties of 1,1,2-trimethyl-3-methylidenecyclopropane?
1,1,2-trimethyl-3-methylidenecyclopropane has a molecular weight of 96.17 g/mol, XLogP of 2.22, 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-methylidenecyclopropane is sourced from PubChem (CID 556843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).