pentane;phosphorous acid;prop-1-ene

C8H24O6P2 — CID 173293015

IUPACpentane;phosphorous acid;prop-1-ene
SMILESC=CC.CCCCC.OP(O)O.OP(O)O
InChIInChI=1S/C5H12.C3H6.2H3O3P/c1-3-5-4-2;1-3-2;2*1-4(2)3/h3-5H2,1-2H3;3H,1H2,2H3;2*1-3H
InChIKeyDLACRACOEAFPNR-UHFFFAOYSA-N
MW278.22 g/mol
LogP1.77
Rot. Bonds2

About pentane;phosphorous acid;prop-1-ene

pentane;phosphorous acid;prop-1-ene (PubChem CID 173293015) has the molecular formula C8H24O6P2 and a molecular weight of 278.22 g/mol. Its IUPAC name is pentane;phosphorous acid;prop-1-ene.

Molecular Properties

Compound Namepentane;phosphorous acid;prop-1-ene
PubChem CID173293015
Molecular FormulaC8H24O6P2
Molecular Weight278.22 g/mol
Exact Mass278.10
IUPAC Namepentane;phosphorous acid;prop-1-ene
SMILESC=CC.CCCCC.OP(O)O.OP(O)O
InChIInChI=1S/C5H12.C3H6.2H3O3P/c1-3-5-4-2;1-3-2;2*1-4(2)3/h3-5H2,1-2H3;3H,1H2,2H3;2*1-3H
InChIKeyDLACRACOEAFPNR-UHFFFAOYSA-N
XLogP1.77
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.22
LogP ≤ 51.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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decane;pentan-1-ol;prop-1-ene
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ethenol;heptadecane
CID 158851930
but-1-ene;ethane;pentane
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CID 54525676
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CID 173391486
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Frequently Asked Questions

What is the IUPAC name of pentane;phosphorous acid;prop-1-ene?
The IUPAC name of pentane;phosphorous acid;prop-1-ene (CID 173293015) is pentane;phosphorous acid;prop-1-ene.
What is the SMILES notation for pentane;phosphorous acid;prop-1-ene?
The canonical SMILES for pentane;phosphorous acid;prop-1-ene is C=CC.CCCCC.OP(O)O.OP(O)O.
What is the InChIKey of pentane;phosphorous acid;prop-1-ene?
The InChIKey is DLACRACOEAFPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H6.2H3O3P/c1-3-5-4-2;1-3-2;2*1-4(2)3/h3-5H2,1-2H3;3H,1H2,2H3;2*1-3H.
What are the key properties of pentane;phosphorous acid;prop-1-ene?
pentane;phosphorous acid;prop-1-ene has a molecular weight of 278.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;phosphorous acid;prop-1-ene is sourced from PubChem (CID 173293015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).