dibutyl decanedioate;phosphorosomethane

C19H37O5P — CID 91376193

IUPACdibutyl decanedioate;phosphorosomethane
SMILESCCCCOC(=O)CCCCCCCCC(=O)OCCCC.CP=O
InChIInChI=1S/C18H34O4.CH3OP/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2;1-3-2/h3-16H2,1-2H3;1H3
InChIKeyBYXMIEKSUZDRAH-UHFFFAOYSA-N
MW376.47 g/mol
LogP5.70
Rot. Bonds15

About dibutyl decanedioate;phosphorosomethane

dibutyl decanedioate;phosphorosomethane (PubChem CID 91376193) has the molecular formula C19H37O5P and a molecular weight of 376.47 g/mol. Its IUPAC name is dibutyl decanedioate;phosphorosomethane.

Molecular Properties

Compound Namedibutyl decanedioate;phosphorosomethane
PubChem CID91376193
Molecular FormulaC19H37O5P
Molecular Weight376.47 g/mol
Exact Mass376.24
IUPAC Namedibutyl decanedioate;phosphorosomethane
SMILESCCCCOC(=O)CCCCCCCCC(=O)OCCCC.CP=O
InChIInChI=1S/C18H34O4.CH3OP/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2;1-3-2/h3-16H2,1-2H3;1H3
InChIKeyBYXMIEKSUZDRAH-UHFFFAOYSA-N
XLogP5.70
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dibutyl heptadecanedioate
CID 87117348
butyl dodecanoate;stannane
CID 173127459
butyl nonadecanoate
CID 3015296
butyl octadecanoate;stannane
CID 173304092
butyl pentacosanoate
CID 54548273
1-O-butyl 7-O-dodecyl heptanedioate
CID 91732656
butyl octadecanoate;octyl hexadecanoate
CID 175006742
1-O-butyl 6-O-decyl hexanedioate
CID 3018277
1-O-butyl 7-O-nonyl heptanedioate
CID 91732654
pentacosyl octadecanoate
CID 3085781
1-O-heptyl 10-O-hexadecyl decanedioate
CID 91729407
dioctyl tridecanedioate
CID 54130033

Frequently Asked Questions

What is the IUPAC name of dibutyl decanedioate;phosphorosomethane?
The IUPAC name of dibutyl decanedioate;phosphorosomethane (CID 91376193) is dibutyl decanedioate;phosphorosomethane.
What is the SMILES notation for dibutyl decanedioate;phosphorosomethane?
The canonical SMILES for dibutyl decanedioate;phosphorosomethane is CCCCOC(=O)CCCCCCCCC(=O)OCCCC.CP=O.
What is the InChIKey of dibutyl decanedioate;phosphorosomethane?
The InChIKey is BYXMIEKSUZDRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4.CH3OP/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2;1-3-2/h3-16H2,1-2H3;1H3.
What are the key properties of dibutyl decanedioate;phosphorosomethane?
dibutyl decanedioate;phosphorosomethane has a molecular weight of 376.47 g/mol, XLogP of 5.70, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl decanedioate;phosphorosomethane is sourced from PubChem (CID 91376193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).