butan-1-ol;2-methyloxirane;oxirane;phosphoric acid

C9H23O7P — CID 170852533

IUPACbutan-1-ol;2-methyloxirane;oxirane;phosphoric acid
SMILESC1CO1.CC1CO1.CCCCO.O=P(O)(O)O
InChIInChI=1S/C4H10O.C3H6O.C2H4O.H3O4P/c1-2-3-4-5;1-3-2-4-3;1-2-3-1;1-5(2,3)4/h5H,2-4H2,1H3;3H,2H2,1H3;1-2H2;(H3,1,2,3,4)
InChIKeyPZIDGLNAEJOQRD-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.27
Rot. Bonds2

About butan-1-ol;2-methyloxirane;oxirane;phosphoric acid

butan-1-ol;2-methyloxirane;oxirane;phosphoric acid (PubChem CID 170852533) has the molecular formula C9H23O7P and a molecular weight of 274.25 g/mol. Its IUPAC name is butan-1-ol;2-methyloxirane;oxirane;phosphoric acid.

Molecular Properties

Compound Namebutan-1-ol;2-methyloxirane;oxirane;phosphoric acid
PubChem CID170852533
Molecular FormulaC9H23O7P
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC Namebutan-1-ol;2-methyloxirane;oxirane;phosphoric acid
SMILESC1CO1.CC1CO1.CCCCO.O=P(O)(O)O
InChIInChI=1S/C4H10O.C3H6O.C2H4O.H3O4P/c1-2-3-4-5;1-3-2-4-3;1-2-3-1;1-5(2,3)4/h5H,2-4H2,1H3;3H,2H2,1H3;1-2H2;(H3,1,2,3,4)
InChIKeyPZIDGLNAEJOQRD-UHFFFAOYSA-N
XLogP0.27
TPSA123.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;1,4-dioxane;hydrate
CID 67047509
dodecanoic acid;2-methyloxirane;oxirane
CID 6453615
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
heptadecan-1-ol;phosphoric acid
CID 174616506
(2-methyloxirane);oxirane
CID 173423277
octadecan-1-ol;phosphoric acid;zinc
CID 175122102
phosphoric acid;silane;tridecan-1-ol
CID 174860606
butan-1-ol;oxolane;hydrate
CID 68989617
sodium;dodecan-1-ol;hydride;phosphoric acid
CID 173189206
calcium;hydride;phosphoric acid;triacontan-1-ol
CID 175292657
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane
CID 6451422
(1,2,3,4-13C4)butan-1-ol
CID 71309697

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;2-methyloxirane;oxirane;phosphoric acid?
The IUPAC name of butan-1-ol;2-methyloxirane;oxirane;phosphoric acid (CID 170852533) is butan-1-ol;2-methyloxirane;oxirane;phosphoric acid.
What is the SMILES notation for butan-1-ol;2-methyloxirane;oxirane;phosphoric acid?
The canonical SMILES for butan-1-ol;2-methyloxirane;oxirane;phosphoric acid is C1CO1.CC1CO1.CCCCO.O=P(O)(O)O.
What is the InChIKey of butan-1-ol;2-methyloxirane;oxirane;phosphoric acid?
The InChIKey is PZIDGLNAEJOQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6O.C2H4O.H3O4P/c1-2-3-4-5;1-3-2-4-3;1-2-3-1;1-5(2,3)4/h5H,2-4H2,1H3;3H,2H2,1H3;1-2H2;(H3,1,2,3,4).
What are the key properties of butan-1-ol;2-methyloxirane;oxirane;phosphoric acid?
butan-1-ol;2-methyloxirane;oxirane;phosphoric acid has a molecular weight of 274.25 g/mol, XLogP of 0.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;2-methyloxirane;oxirane;phosphoric acid is sourced from PubChem (CID 170852533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).