3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene

C12H21OP — CID 13384189

IUPAC3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene
SMILESC=C(C)CP(=O)(CC(=C)C)CC(=C)C
InChIInChI=1S/C12H21OP/c1-10(2)7-14(13,8-11(3)4)9-12(5)6/h1,3,5,7-9H2,2,4,6H3
InChIKeyPLQXTFMLOBXCPC-UHFFFAOYSA-N
MW212.27 g/mol
LogP4.08
Rot. Bonds6

About 3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene

3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene (PubChem CID 13384189) has the molecular formula C12H21OP and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene.

Molecular Properties

Compound Name3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene
PubChem CID13384189
Molecular FormulaC12H21OP
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene
SMILESC=C(C)CP(=O)(CC(=C)C)CC(=C)C
InChIInChI=1S/C12H21OP/c1-10(2)7-14(13,8-11(3)4)9-12(5)6/h1,3,5,7-9H2,2,4,6H3
InChIKeyPLQXTFMLOBXCPC-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene?
The IUPAC name of 3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene (CID 13384189) is 3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene.
What is the SMILES notation for 3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene?
The canonical SMILES for 3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene is C=C(C)CP(=O)(CC(=C)C)CC(=C)C.
What is the InChIKey of 3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene?
The InChIKey is PLQXTFMLOBXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21OP/c1-10(2)7-14(13,8-11(3)4)9-12(5)6/h1,3,5,7-9H2,2,4,6H3.
What are the key properties of 3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene?
3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene has a molecular weight of 212.27 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylprop-2-enyl)phosphoryl]-2-methylprop-1-ene is sourced from PubChem (CID 13384189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).