6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane

C26H53OP — CID 20723721

IUPAC6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane
SMILESCCCCCCCCCCCPCCCCCC(CCCCCC)CC1CO1
InChIInChI=1S/C26H53OP/c1-3-5-7-9-10-11-12-13-17-21-28-22-18-14-16-20-25(23-26-24-27-26)19-15-8-6-4-2/h25-26,28H,3-24H2,1-2H3
InChIKeyQPQRFIALENKOTR-UHFFFAOYSA-N
MW412.68 g/mol
LogP9.13
Rot. Bonds23

About 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane

6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane (PubChem CID 20723721) has the molecular formula C26H53OP and a molecular weight of 412.68 g/mol. Its IUPAC name is 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane.

Molecular Properties

Compound Name6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane
PubChem CID20723721
Molecular FormulaC26H53OP
Molecular Weight412.68 g/mol
Exact Mass412.38
IUPAC Name6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane
SMILESCCCCCCCCCCCPCCCCCC(CCCCCC)CC1CO1
InChIInChI=1S/C26H53OP/c1-3-5-7-9-10-11-12-13-17-21-28-22-18-14-16-20-25(23-26-24-27-26)19-15-8-6-4-2/h25-26,28H,3-24H2,1-2H3
InChIKeyQPQRFIALENKOTR-UHFFFAOYSA-N
XLogP9.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.68
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane 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

6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane;vanadium
CID 20723720
2-(2-ethylhexadecyl)oxirane
CID 174869726
N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride
CID 174764683
10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide
CID 87578056
2-(2,3-dimethyltridecyl)oxirane
CID 56626269
(2R)-1-[(2R)-oxiran-2-yl]heptan-2-ol
CID 129387071
2-(2-octyldecyl)-1,3-dioxolane
CID 68995066
icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium
CID 20744672
N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine
CID 19003491
decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037

Frequently Asked Questions

What is the IUPAC name of 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane?
The IUPAC name of 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane (CID 20723721) is 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane.
What is the SMILES notation for 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane?
The canonical SMILES for 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane is CCCCCCCCCCCPCCCCCC(CCCCCC)CC1CO1.
What is the InChIKey of 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane?
The InChIKey is QPQRFIALENKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53OP/c1-3-5-7-9-10-11-12-13-17-21-28-22-18-14-16-20-25(23-26-24-27-26)19-15-8-6-4-2/h25-26,28H,3-24H2,1-2H3.
What are the key properties of 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane?
6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane has a molecular weight of 412.68 g/mol, XLogP of 9.13, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane is sourced from PubChem (CID 20723721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).