(4-methoxy-3-methylbutyl) dimethyl phosphate

C8H19O5P — CID 134463907

IUPAC(4-methoxy-3-methylbutyl) dimethyl phosphate
SMILESCOCC(C)CCOP(=O)(OC)OC
InChIInChI=1S/C8H19O5P/c1-8(7-10-2)5-6-13-14(9,11-3)12-4/h8H,5-7H2,1-4H3
InChIKeyRIUOCUMNCFOSCY-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.08
Rot. Bonds8

About (4-methoxy-3-methylbutyl) dimethyl phosphate

(4-methoxy-3-methylbutyl) dimethyl phosphate (PubChem CID 134463907) has the molecular formula C8H19O5P and a molecular weight of 226.21 g/mol. Its IUPAC name is (4-methoxy-3-methylbutyl) dimethyl phosphate.

Molecular Properties

Compound Name(4-methoxy-3-methylbutyl) dimethyl phosphate
PubChem CID134463907
Molecular FormulaC8H19O5P
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name(4-methoxy-3-methylbutyl) dimethyl phosphate
SMILESCOCC(C)CCOP(=O)(OC)OC
InChIInChI=1S/C8H19O5P/c1-8(7-10-2)5-6-13-14(9,11-3)12-4/h8H,5-7H2,1-4H3
InChIKeyRIUOCUMNCFOSCY-UHFFFAOYSA-N
XLogP2.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-3-methylbutyl) propan-2-yl hydrogen phosphate
CID 129147562
tris(3,7,11-trimethyldodecyl) phosphate
CID 54444487
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
1,11-dimethoxy-2-methylundecane
CID 118982395
5-bromo-1-methoxy-2-methylhexane
CID 64508480
1-[butyl-(4-methoxy-2-methylbutoxy)phosphoryl]oxy-4-methoxy-2-methylbutane
CID 91701478
4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
4-bromo-1-methoxy-2-methylbutane
CID 115625046
(3S)-4-methoxy-3-methylbutan-1-ol
CID 87593216
N-(4-methoxy-2-methylbutyl)formamide
CID 91122116
tris(5-methylheptyl) phosphate
CID 87189340
3-bromopropyl dimethyl phosphate
CID 156628564

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylbutyl) dimethyl phosphate?
The IUPAC name of (4-methoxy-3-methylbutyl) dimethyl phosphate (CID 134463907) is (4-methoxy-3-methylbutyl) dimethyl phosphate.
What is the SMILES notation for (4-methoxy-3-methylbutyl) dimethyl phosphate?
The canonical SMILES for (4-methoxy-3-methylbutyl) dimethyl phosphate is COCC(C)CCOP(=O)(OC)OC.
What is the InChIKey of (4-methoxy-3-methylbutyl) dimethyl phosphate?
The InChIKey is RIUOCUMNCFOSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5P/c1-8(7-10-2)5-6-13-14(9,11-3)12-4/h8H,5-7H2,1-4H3.
What are the key properties of (4-methoxy-3-methylbutyl) dimethyl phosphate?
(4-methoxy-3-methylbutyl) dimethyl phosphate has a molecular weight of 226.21 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylbutyl) dimethyl phosphate is sourced from PubChem (CID 134463907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).