(10-methyl-1-phosphonoundec-9-enyl)phosphonic acid

C12H26O6P2 — CID 19814131

IUPAC(10-methyl-1-phosphonoundec-9-enyl)phosphonic acid
SMILESCC(C)=CCCCCCCCC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C12H26O6P2/c1-11(2)9-7-5-3-4-6-8-10-12(19(13,14)15)20(16,17)18/h9,12H,3-8,10H2,1-2H3,(H2,13,14,15)(H2,16,17,18)
InChIKeyUJZWOPGPAZLSIE-UHFFFAOYSA-N
MW328.28 g/mol
LogP3.36
Rot. Bonds10

About (10-methyl-1-phosphonoundec-9-enyl)phosphonic acid

(10-methyl-1-phosphonoundec-9-enyl)phosphonic acid (PubChem CID 19814131) has the molecular formula C12H26O6P2 and a molecular weight of 328.28 g/mol. Its IUPAC name is (10-methyl-1-phosphonoundec-9-enyl)phosphonic acid.

Molecular Properties

Compound Name(10-methyl-1-phosphonoundec-9-enyl)phosphonic acid
PubChem CID19814131
Molecular FormulaC12H26O6P2
Molecular Weight328.28 g/mol
Exact Mass328.12
IUPAC Name(10-methyl-1-phosphonoundec-9-enyl)phosphonic acid
SMILESCC(C)=CCCCCCCCC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C12H26O6P2/c1-11(2)9-7-5-3-4-6-8-10-12(19(13,14)15)20(16,17)18/h9,12H,3-8,10H2,1-2H3,(H2,13,14,15)(H2,16,17,18)
InChIKeyUJZWOPGPAZLSIE-UHFFFAOYSA-N
XLogP3.36
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10-methyl-1-phosphonoundec-9-enyl)phosphonic acid?
The IUPAC name of (10-methyl-1-phosphonoundec-9-enyl)phosphonic acid (CID 19814131) is (10-methyl-1-phosphonoundec-9-enyl)phosphonic acid.
What is the SMILES notation for (10-methyl-1-phosphonoundec-9-enyl)phosphonic acid?
The canonical SMILES for (10-methyl-1-phosphonoundec-9-enyl)phosphonic acid is CC(C)=CCCCCCCCC(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (10-methyl-1-phosphonoundec-9-enyl)phosphonic acid?
The InChIKey is UJZWOPGPAZLSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6P2/c1-11(2)9-7-5-3-4-6-8-10-12(19(13,14)15)20(16,17)18/h9,12H,3-8,10H2,1-2H3,(H2,13,14,15)(H2,16,17,18).
What are the key properties of (10-methyl-1-phosphonoundec-9-enyl)phosphonic acid?
(10-methyl-1-phosphonoundec-9-enyl)phosphonic acid has a molecular weight of 328.28 g/mol, XLogP of 3.36, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methyl-1-phosphonoundec-9-enyl)phosphonic acid is sourced from PubChem (CID 19814131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).