acetic acid;dodecane;guanidine;phosphane

C15H38N3O2P — CID 175312281

IUPACacetic acid;dodecane;guanidine;phosphane
SMILESCC(=O)O.CCCCCCCCCCCC.P.[H]N=C(N)N
InChIInChI=1S/C12H26.C2H4O2.CH5N3.H3P/c1-3-5-7-9-11-12-10-8-6-4-2;1-2(3)4;2-1(3)4;/h3-12H2,1-2H3;1H3,(H,3,4);(H5,2,3,4);1H3
InChIKeyJIWXBNVTGHSWCN-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.91
Rot. Bonds9

About acetic acid;dodecane;guanidine;phosphane

acetic acid;dodecane;guanidine;phosphane (PubChem CID 175312281) has the molecular formula C15H38N3O2P and a molecular weight of 323.46 g/mol. Its IUPAC name is acetic acid;dodecane;guanidine;phosphane.

Molecular Properties

Compound Nameacetic acid;dodecane;guanidine;phosphane
PubChem CID175312281
Molecular FormulaC15H38N3O2P
Molecular Weight323.46 g/mol
Exact Mass323.27
IUPAC Nameacetic acid;dodecane;guanidine;phosphane
SMILESCC(=O)O.CCCCCCCCCCCC.P.[H]N=C(N)N
InChIInChI=1S/C12H26.C2H4O2.CH5N3.H3P/c1-3-5-7-9-11-12-10-8-6-4-2;1-2(3)4;2-1(3)4;/h3-12H2,1-2H3;1H3,(H,3,4);(H5,2,3,4);1H3
InChIKeyJIWXBNVTGHSWCN-UHFFFAOYSA-N
XLogP3.91
TPSA113.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180
acetic acid;N,N-dimethyldodecan-1-amine;guanidine
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acetic acid;pentakis(guanidine)
CID 174792068
acetic acid;hexacosan-1-amine
CID 172814522
acetic acid;hexan-1-amine
CID 174564294
sodium;acetic acid;dodecanamide;hydride
CID 175410375
acetic acid;heptatriacontan-19-amine
CID 173373447
carbamic acid;octan-1-ol
CID 175180386
carbamic acid;hexan-1-amine
CID 158177123
acetic acid;decanoic acid
CID 159015360
acetamide;decan-1-amine
CID 160911015

Frequently Asked Questions

What is the IUPAC name of acetic acid;dodecane;guanidine;phosphane?
The IUPAC name of acetic acid;dodecane;guanidine;phosphane (CID 175312281) is acetic acid;dodecane;guanidine;phosphane.
What is the SMILES notation for acetic acid;dodecane;guanidine;phosphane?
The canonical SMILES for acetic acid;dodecane;guanidine;phosphane is CC(=O)O.CCCCCCCCCCCC.P.[H]N=C(N)N.
What is the InChIKey of acetic acid;dodecane;guanidine;phosphane?
The InChIKey is JIWXBNVTGHSWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C2H4O2.CH5N3.H3P/c1-3-5-7-9-11-12-10-8-6-4-2;1-2(3)4;2-1(3)4;/h3-12H2,1-2H3;1H3,(H,3,4);(H5,2,3,4);1H3.
What are the key properties of acetic acid;dodecane;guanidine;phosphane?
acetic acid;dodecane;guanidine;phosphane has a molecular weight of 323.46 g/mol, XLogP of 3.91, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;dodecane;guanidine;phosphane is sourced from PubChem (CID 175312281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).