dodecan-6-ylphosphane

C12H27P — CID 88935198

IUPACdodecan-6-ylphosphane
SMILESCCCCCCC(P)CCCCC
InChIInChI=1S/C12H27P/c1-3-5-7-9-11-12(13)10-8-6-4-2/h12H,3-11,13H2,1-2H3
InChIKeyQDGKQZJMXFESEQ-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.78
Rot. Bonds9

About dodecan-6-ylphosphane

dodecan-6-ylphosphane (PubChem CID 88935198) has the molecular formula C12H27P and a molecular weight of 202.32 g/mol. Its IUPAC name is dodecan-6-ylphosphane.

Molecular Properties

Compound Namedodecan-6-ylphosphane
PubChem CID88935198
Molecular FormulaC12H27P
Molecular Weight202.32 g/mol
Exact Mass202.19
IUPAC Namedodecan-6-ylphosphane
SMILESCCCCCCC(P)CCCCC
InChIInChI=1S/C12H27P/c1-3-5-7-9-11-12(13)10-8-6-4-2/h12H,3-11,13H2,1-2H3
InChIKeyQDGKQZJMXFESEQ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptatriacontan-19-ylphosphane
CID 18405829
nonadecan-10-ylphosphane
CID 175556620
1-phosphanylundecylphosphane
CID 23414194
heptadecan-2-ylphosphane
CID 154117788
pentadecan-2-ylphosphane
CID 154118597
2-methylnonan-4-ylphosphane
CID 141377925
decan-2-ylphosphane;thulium
CID 87745416
1-phosphanylhexadecan-1-ol
CID 174908486
1-phosphanyltridecan-1-ol
CID 174895856
(9S,10S)-octadecane-9,10-dithiol
CID 98118372
hexadecane-6,7-dithiol
CID 91163003
docosane-10,11-dithiol
CID 123269259

Frequently Asked Questions

What is the IUPAC name of dodecan-6-ylphosphane?
The IUPAC name of dodecan-6-ylphosphane (CID 88935198) is dodecan-6-ylphosphane.
What is the SMILES notation for dodecan-6-ylphosphane?
The canonical SMILES for dodecan-6-ylphosphane is CCCCCCC(P)CCCCC.
What is the InChIKey of dodecan-6-ylphosphane?
The InChIKey is QDGKQZJMXFESEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P/c1-3-5-7-9-11-12(13)10-8-6-4-2/h12H,3-11,13H2,1-2H3.
What are the key properties of dodecan-6-ylphosphane?
dodecan-6-ylphosphane has a molecular weight of 202.32 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-6-ylphosphane is sourced from PubChem (CID 88935198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).