1-phosphanyldodecan-1-one

C12H25OP — CID 154236857

IUPAC1-phosphanyldodecan-1-one
SMILESCCCCCCCCCCCC(=O)P
InChIInChI=1S/C12H25OP/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11,14H2,1H3
InChIKeyWZOZOIPVVAUEPK-UHFFFAOYSA-N
MW216.30 g/mol
LogP4.31
Rot. Bonds10

About 1-phosphanyldodecan-1-one

1-phosphanyldodecan-1-one (PubChem CID 154236857) has the molecular formula C12H25OP and a molecular weight of 216.30 g/mol. Its IUPAC name is 1-phosphanyldodecan-1-one.

Molecular Properties

Compound Name1-phosphanyldodecan-1-one
PubChem CID154236857
Molecular FormulaC12H25OP
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name1-phosphanyldodecan-1-one
SMILESCCCCCCCCCCCC(=O)P
InChIInChI=1S/C12H25OP/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11,14H2,1H3
InChIKeyWZOZOIPVVAUEPK-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 54.31
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'}

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Related Compounds

CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
nonadecan-7-one
CID 12913434
pentacosane-7,19-dione
CID 139254510
nonatriacontane-16,17-dione
CID 175447711
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octadecane-9,10-dione
CID 10902085
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687

Frequently Asked Questions

What is the IUPAC name of 1-phosphanyldodecan-1-one?
The IUPAC name of 1-phosphanyldodecan-1-one (CID 154236857) is 1-phosphanyldodecan-1-one.
What is the SMILES notation for 1-phosphanyldodecan-1-one?
The canonical SMILES for 1-phosphanyldodecan-1-one is CCCCCCCCCCCC(=O)P.
What is the InChIKey of 1-phosphanyldodecan-1-one?
The InChIKey is WZOZOIPVVAUEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25OP/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11,14H2,1H3.
What are the key properties of 1-phosphanyldodecan-1-one?
1-phosphanyldodecan-1-one has a molecular weight of 216.30 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanyldodecan-1-one is sourced from PubChem (CID 154236857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).