acetic acid;cyclobutane;phosphane

C8H19O4P — CID 174489906

IUPACacetic acid;cyclobutane;phosphane
SMILESC1CCC1.CC(=O)O.CC(=O)O.P
InChIInChI=1S/C4H8.2C2H4O2.H3P/c1-2-4-3-1;2*1-2(3)4;/h1-4H2;2*1H3,(H,3,4);1H3
InChIKeyLFZGLXVCAICHSM-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.80
Rot. Bonds

About acetic acid;cyclobutane;phosphane

acetic acid;cyclobutane;phosphane (PubChem CID 174489906) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is acetic acid;cyclobutane;phosphane.

Molecular Properties

Compound Nameacetic acid;cyclobutane;phosphane
PubChem CID174489906
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Nameacetic acid;cyclobutane;phosphane
SMILESC1CCC1.CC(=O)O.CC(=O)O.P
InChIInChI=1S/C4H8.2C2H4O2.H3P/c1-2-4-3-1;2*1-2(3)4;/h1-4H2;2*1H3,(H,3,4);1H3
InChIKeyLFZGLXVCAICHSM-UHFFFAOYSA-N
XLogP1.80
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid
CID 158444727
cyclohexane;ethane;bis(propan-2-one)
CID 160732509
acetic acid;cyclohexylcyclohexane
CID 67293698
acetic acid;thionane
CID 175237124
acetic acid;trihydrobromide
CID 172754955
acetic acid;iridium
CID 174174414
acetic acid;ethane
CID 173144363
acetic acid;lanthanum
CID 4570825
acetic acid;ethane
CID 173226324
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173070051

Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclobutane;phosphane?
The IUPAC name of acetic acid;cyclobutane;phosphane (CID 174489906) is acetic acid;cyclobutane;phosphane.
What is the SMILES notation for acetic acid;cyclobutane;phosphane?
The canonical SMILES for acetic acid;cyclobutane;phosphane is C1CCC1.CC(=O)O.CC(=O)O.P.
What is the InChIKey of acetic acid;cyclobutane;phosphane?
The InChIKey is LFZGLXVCAICHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.2C2H4O2.H3P/c1-2-4-3-1;2*1-2(3)4;/h1-4H2;2*1H3,(H,3,4);1H3.
What are the key properties of acetic acid;cyclobutane;phosphane?
acetic acid;cyclobutane;phosphane has a molecular weight of 210.21 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclobutane;phosphane is sourced from PubChem (CID 174489906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).