dodecan-1-ol;phosphane

C12H29OP — CID 174820539

IUPACdodecan-1-ol;phosphane
SMILESCCCCCCCCCCCCO.P
InChIInChI=1S/C12H26O.H3P/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;1H3
InChIKeyNAJUVLLMDGWMMM-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.96
Rot. Bonds10

About dodecan-1-ol;phosphane

dodecan-1-ol;phosphane (PubChem CID 174820539) has the molecular formula C12H29OP and a molecular weight of 220.34 g/mol. Its IUPAC name is dodecan-1-ol;phosphane.

Molecular Properties

Compound Namedodecan-1-ol;phosphane
PubChem CID174820539
Molecular FormulaC12H29OP
Molecular Weight220.34 g/mol
Exact Mass220.20
IUPAC Namedodecan-1-ol;phosphane
SMILESCCCCCCCCCCCCO.P
InChIInChI=1S/C12H26O.H3P/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;1H3
InChIKeyNAJUVLLMDGWMMM-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

octan-1-ol;phosphane
CID 158813059
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
hexan-1-ol;nonane
CID 175106830

Frequently Asked Questions

What is the IUPAC name of dodecan-1-ol;phosphane?
The IUPAC name of dodecan-1-ol;phosphane (CID 174820539) is dodecan-1-ol;phosphane.
What is the SMILES notation for dodecan-1-ol;phosphane?
The canonical SMILES for dodecan-1-ol;phosphane is CCCCCCCCCCCCO.P.
What is the InChIKey of dodecan-1-ol;phosphane?
The InChIKey is NAJUVLLMDGWMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.H3P/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;1H3.
What are the key properties of dodecan-1-ol;phosphane?
dodecan-1-ol;phosphane has a molecular weight of 220.34 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-ol;phosphane is sourced from PubChem (CID 174820539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).