dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane

C13H30P2 — CID 160500544

IUPACdimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane
SMILESC=C(CC)CP(=C)(C)C.C=P(C)(C)CC
InChIInChI=1S/C8H17P.C5H13P/c1-6-8(2)7-9(3,4)5;1-5-6(2,3)4/h2-3,6-7H2,1,4-5H3;2,5H2,1,3-4H3
InChIKeyQRSMHMOZTBVDBA-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.38
Rot. Bonds4

About dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane

dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane (PubChem CID 160500544) has the molecular formula C13H30P2 and a molecular weight of 248.33 g/mol. Its IUPAC name is dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane.

Molecular Properties

Compound Namedimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane
PubChem CID160500544
Molecular FormulaC13H30P2
Molecular Weight248.33 g/mol
Exact Mass248.18
IUPAC Namedimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane
SMILESC=C(CC)CP(=C)(C)C.C=P(C)(C)CC
InChIInChI=1S/C8H17P.C5H13P/c1-6-8(2)7-9(3,4)5;1-5-6(2,3)4/h2-3,6-7H2,1,4-5H3;2,5H2,1,3-4H3
InChIKeyQRSMHMOZTBVDBA-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane?
The IUPAC name of dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane (CID 160500544) is dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane.
What is the SMILES notation for dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane?
The canonical SMILES for dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane is C=C(CC)CP(=C)(C)C.C=P(C)(C)CC.
What is the InChIKey of dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane?
The InChIKey is QRSMHMOZTBVDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17P.C5H13P/c1-6-8(2)7-9(3,4)5;1-5-6(2,3)4/h2-3,6-7H2,1,4-5H3;2,5H2,1,3-4H3.
What are the key properties of dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane?
dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane has a molecular weight of 248.33 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-methylidene-(2-methylidenebutyl)-λ5-phosphane;ethyl-dimethyl-methylidene-λ5-phosphane is sourced from PubChem (CID 160500544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).