1-[tert-butyl(methanidyl)phosphoryl]oxydodecane

C17H36O2P- — CID 148605328

IUPAC1-[tert-butyl(methanidyl)phosphoryl]oxydodecane
SMILES[CH2-]P(=O)(OCCCCCCCCCCCC)C(C)(C)C
InChIInChI=1S/C17H36O2P/c1-6-7-8-9-10-11-12-13-14-15-16-19-20(5,18)17(2,3)4/h5-16H2,1-4H3/q-1
InChIKeyNDHGDLPHZXSAFD-UHFFFAOYSA-N
MW303.45 g/mol
LogP6.79
Rot. Bonds12

About 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane

1-[tert-butyl(methanidyl)phosphoryl]oxydodecane (PubChem CID 148605328) has the molecular formula C17H36O2P- and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane.

Molecular Properties

Compound Name1-[tert-butyl(methanidyl)phosphoryl]oxydodecane
PubChem CID148605328
Molecular FormulaC17H36O2P-
Molecular Weight303.45 g/mol
Exact Mass303.25
IUPAC Name1-[tert-butyl(methanidyl)phosphoryl]oxydodecane
SMILES[CH2-]P(=O)(OCCCCCCCCCCCC)C(C)(C)C
InChIInChI=1S/C17H36O2P/c1-6-7-8-9-10-11-12-13-14-15-16-19-20(5,18)17(2,3)4/h5-16H2,1-4H3/q-1
InChIKeyNDHGDLPHZXSAFD-UHFFFAOYSA-N
XLogP6.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane 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

1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol
CID 167566969
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
1-dichlorophosphoryloxyoctadecane
CID 88757359
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
1-dihexoxyphosphoryltetradecane
CID 151638840
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-diheptoxyphosphoryloctadecane
CID 153322672

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane?
The IUPAC name of 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane (CID 148605328) is 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane.
What is the SMILES notation for 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane?
The canonical SMILES for 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane is [CH2-]P(=O)(OCCCCCCCCCCCC)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane?
The InChIKey is NDHGDLPHZXSAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2P/c1-6-7-8-9-10-11-12-13-14-15-16-19-20(5,18)17(2,3)4/h5-16H2,1-4H3/q-1.
What are the key properties of 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane?
1-[tert-butyl(methanidyl)phosphoryl]oxydodecane has a molecular weight of 303.45 g/mol, XLogP of 6.79, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(methanidyl)phosphoryl]oxydodecane is sourced from PubChem (CID 148605328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).