2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate

C10H21O7P — CID 177115561

IUPAC2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate
SMILESCC[C@H](COC(=O)OCC(C)(C)C)OP(=O)(O)O
InChIInChI=1S/C10H21O7P/c1-5-8(17-18(12,13)14)6-15-9(11)16-7-10(2,3)4/h8H,5-7H2,1-4H3,(H2,12,13,14)/t8-/m1/s1
InChIKeyWMRSGYBFBFFDTC-MRVPVSSYSA-N
MW284.25 g/mol
LogP2.07
Rot. Bonds6

About 2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate

2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate (PubChem CID 177115561) has the molecular formula C10H21O7P and a molecular weight of 284.25 g/mol. Its IUPAC name is 2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate.

Molecular Properties

Compound Name2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate
PubChem CID177115561
Molecular FormulaC10H21O7P
Molecular Weight284.25 g/mol
Exact Mass284.10
IUPAC Name2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate
SMILESCC[C@H](COC(=O)OCC(C)(C)C)OP(=O)(O)O
InChIInChI=1S/C10H21O7P/c1-5-8(17-18(12,13)14)6-15-9(11)16-7-10(2,3)4/h8H,5-7H2,1-4H3,(H2,12,13,14)/t8-/m1/s1
InChIKeyWMRSGYBFBFFDTC-MRVPVSSYSA-N
XLogP2.07
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropyl 2-methylbutyl carbonate
CID 91695775
2,2-dimethylpropyl iodomethyl carbonate
CID 23449228
1-bromobutan-2-yl dihydrogen phosphate
CID 146590565
2-ethoxybutyl ethyl carbonate
CID 87247683
[1,2-bis(ethoxycarbonyloxy)-1-phosphonooxyethyl] ethyl carbonate
CID 146462683
2-phosphonooxypentyl 2-methylprop-2-enoate
CID 170162383
heptan-4-yl dihydrogen phosphate
CID 18763997
2-chloroethyl 2,2-dimethylpropyl carbonate
CID 91693115
copper;octan-3-yl dihydrogen phosphate
CID 174493101
2,2-dimethylpropyl carboniodidate
CID 71320370
bis(2,2-dimethylpropyl) 2-butan-2-ylbutanedioate
CID 22241875
2-phosphonooxypropyl 2-methylbutanoate
CID 170143581

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate?
The IUPAC name of 2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate (CID 177115561) is 2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate.
What is the SMILES notation for 2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate?
The canonical SMILES for 2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate is CC[C@H](COC(=O)OCC(C)(C)C)OP(=O)(O)O.
What is the InChIKey of 2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate?
The InChIKey is WMRSGYBFBFFDTC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21O7P/c1-5-8(17-18(12,13)14)6-15-9(11)16-7-10(2,3)4/h8H,5-7H2,1-4H3,(H2,12,13,14)/t8-/m1/s1.
What are the key properties of 2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate?
2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate has a molecular weight of 284.25 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate is sourced from PubChem (CID 177115561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).