1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane

C11H21O3P — CID 101187650

IUPAC1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane
SMILESC=C1CC1CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H21O3P/c1-8(2)13-15(12,14-9(3)4)7-11-6-10(11)5/h8-9,11H,5-7H2,1-4H3
InChIKeyNTHMNOSGJVAHAR-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.61
Rot. Bonds6

About 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane

1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane (PubChem CID 101187650) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane.

Molecular Properties

Compound Name1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane
PubChem CID101187650
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane
SMILESC=C1CC1CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H21O3P/c1-8(2)13-15(12,14-9(3)4)7-11-6-10(11)5/h8-9,11H,5-7H2,1-4H3
InChIKeyNTHMNOSGJVAHAR-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane
CID 102166253
2-di(propan-2-yloxy)phosphorylethylcyclopropane
CID 53392104
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
2-dimethylphosphoryloxypropane
CID 12572720
CID 175885039
CID 175885039
ethene;2-[fluoro(methyl)phosphoryl]oxypropane
CID 174612672
(1R,5S)-3-[di(propan-2-yloxy)phosphorylmethoxy]-6-oxabicyclo[3.1.0]hexane
CID 59796206
(3S,4S)-1-[2-di(propan-2-yloxy)phosphorylethyl]pyrrolidine-3,4-diol
CID 102480262
2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine
CID 88970678
1-di(propan-2-yloxy)phosphorylprop-1-yne
CID 23413417
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791

Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane?
The IUPAC name of 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane (CID 101187650) is 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane.
What is the SMILES notation for 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane?
The canonical SMILES for 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane is C=C1CC1CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane?
The InChIKey is NTHMNOSGJVAHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-8(2)13-15(12,14-9(3)4)7-11-6-10(11)5/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane?
1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane has a molecular weight of 232.26 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yloxy)phosphorylmethyl]-2-methylidenecyclopropane is sourced from PubChem (CID 101187650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).