(1R)-1-dibutoxyphosphorylbutan-1-ol

C12H27O4P — CID 134965917

IUPAC(1R)-1-dibutoxyphosphorylbutan-1-ol
SMILESCCCCOP(=O)(OCCCC)[C@@H](O)CCC
InChIInChI=1S/C12H27O4P/c1-4-7-10-15-17(14,12(13)9-6-3)16-11-8-5-2/h12-13H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyWZLQTDVXGIEMSL-GFCCVEGCSA-N
MW266.32 g/mol
LogP3.93
Rot. Bonds11

About (1R)-1-dibutoxyphosphorylbutan-1-ol

(1R)-1-dibutoxyphosphorylbutan-1-ol (PubChem CID 134965917) has the molecular formula C12H27O4P and a molecular weight of 266.32 g/mol. Its IUPAC name is (1R)-1-dibutoxyphosphorylbutan-1-ol.

Molecular Properties

Compound Name(1R)-1-dibutoxyphosphorylbutan-1-ol
PubChem CID134965917
Molecular FormulaC12H27O4P
Molecular Weight266.32 g/mol
Exact Mass266.16
IUPAC Name(1R)-1-dibutoxyphosphorylbutan-1-ol
SMILESCCCCOP(=O)(OCCCC)[C@@H](O)CCC
InChIInChI=1S/C12H27O4P/c1-4-7-10-15-17(14,12(13)9-6-3)16-11-8-5-2/h12-13H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyWZLQTDVXGIEMSL-GFCCVEGCSA-N
XLogP3.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-dibutoxyphosphorylbutan-1-ol?
The IUPAC name of (1R)-1-dibutoxyphosphorylbutan-1-ol (CID 134965917) is (1R)-1-dibutoxyphosphorylbutan-1-ol.
What is the SMILES notation for (1R)-1-dibutoxyphosphorylbutan-1-ol?
The canonical SMILES for (1R)-1-dibutoxyphosphorylbutan-1-ol is CCCCOP(=O)(OCCCC)[C@@H](O)CCC.
What is the InChIKey of (1R)-1-dibutoxyphosphorylbutan-1-ol?
The InChIKey is WZLQTDVXGIEMSL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H27O4P/c1-4-7-10-15-17(14,12(13)9-6-3)16-11-8-5-2/h12-13H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-dibutoxyphosphorylbutan-1-ol?
(1R)-1-dibutoxyphosphorylbutan-1-ol has a molecular weight of 266.32 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-dibutoxyphosphorylbutan-1-ol is sourced from PubChem (CID 134965917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).