butyl dimethyl phosphate

C6H15O4P — CID 581445

IUPACbutyl dimethyl phosphate
SMILESCCCCOP(=O)(OC)OC
InChIInChI=1S/C6H15O4P/c1-4-5-6-10-11(7,8-2)9-3/h4-6H2,1-3H3
InChIKeyBSVOVKZEVXWQPJ-UHFFFAOYSA-N
MW182.16 g/mol
LogP2.20
Rot. Bonds6

About butyl dimethyl phosphate

butyl dimethyl phosphate (PubChem CID 581445) has the molecular formula C6H15O4P and a molecular weight of 182.16 g/mol. Its IUPAC name is butyl dimethyl phosphate.

Molecular Properties

Compound Namebutyl dimethyl phosphate
PubChem CID581445
Molecular FormulaC6H15O4P
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Namebutyl dimethyl phosphate
SMILESCCCCOP(=O)(OC)OC
InChIInChI=1S/C6H15O4P/c1-4-5-6-10-11(7,8-2)9-3/h4-6H2,1-3H3
InChIKeyBSVOVKZEVXWQPJ-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
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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Related Compounds

Tributyl Phosphate
CID 31357
Triethyl Phosphate
CID 6535
Diethyl phosphate
CID 654
Diethyl hydrogen phosphite
CID 6327654
Dibutyl hydrogen phosphite
CID 6327349
Dibutyl phosphate
CID 7881
Phosphoric acid, monopropyl ester
CID 74188
Monobutyl phosphate
CID 15389
Phosphoric acid, monopentyl ester
CID 61572
Tripropyl phosphate
CID 10546
Phosphoric acid, monobutyl ester, sodium salt (1:2)
CID 163035
Dipropyl phosphate
CID 74544

Frequently Asked Questions

What is the IUPAC name of butyl dimethyl phosphate?
The IUPAC name of butyl dimethyl phosphate (CID 581445) is butyl dimethyl phosphate.
What is the SMILES notation for butyl dimethyl phosphate?
The canonical SMILES for butyl dimethyl phosphate is CCCCOP(=O)(OC)OC.
What is the InChIKey of butyl dimethyl phosphate?
The InChIKey is BSVOVKZEVXWQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P/c1-4-5-6-10-11(7,8-2)9-3/h4-6H2,1-3H3.
What are the key properties of butyl dimethyl phosphate?
butyl dimethyl phosphate has a molecular weight of 182.16 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl dimethyl phosphate is sourced from PubChem (CID 581445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).