1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane

C12H25P — CID 139553813

IUPAC1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane
SMILESCCCC1CC1CCP1(C)(C)CC1
InChIInChI=1S/C12H25P/c1-4-5-11-10-12(11)6-7-13(2,3)8-9-13/h11-12H,4-10H2,1-3H3
InChIKeyUKQATHCAWVTGSW-UHFFFAOYSA-N
MW200.31 g/mol
LogP3.64
Rot. Bonds5

About 1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane

1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane (PubChem CID 139553813) has the molecular formula C12H25P and a molecular weight of 200.31 g/mol. Its IUPAC name is 1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane.

Molecular Properties

Compound Name1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane
PubChem CID139553813
Molecular FormulaC12H25P
Molecular Weight200.31 g/mol
Exact Mass200.17
IUPAC Name1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane
SMILESCCCC1CC1CCP1(C)(C)CC1
InChIInChI=1S/C12H25P/c1-4-5-11-10-12(11)6-7-13(2,3)8-9-13/h11-12H,4-10H2,1-3H3
InChIKeyUKQATHCAWVTGSW-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane?
The IUPAC name of 1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane (CID 139553813) is 1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane.
What is the SMILES notation for 1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane?
The canonical SMILES for 1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane is CCCC1CC1CCP1(C)(C)CC1.
What is the InChIKey of 1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane?
The InChIKey is UKQATHCAWVTGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25P/c1-4-5-11-10-12(11)6-7-13(2,3)8-9-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane?
1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane has a molecular weight of 200.31 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-1-[2-(2-propylcyclopropyl)ethyl]-1λ5-phosphirane is sourced from PubChem (CID 139553813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).