[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate

C9H18O3 — CID 173085312

IUPAC[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
SMILESCC[C@@H](C)OC(=O)O[C@@H](C)CC
InChIInChI=1S/C9H18O3/c1-5-7(3)11-9(10)12-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeyRYRWDTRXCNOMOJ-OCAPTIKFSA-N
MW174.24 g/mol
LogP2.74
Rot. Bonds4

About [(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate

[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate (PubChem CID 173085312) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate.

Molecular Properties

Compound Name[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
PubChem CID173085312
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
SMILESCC[C@@H](C)OC(=O)O[C@@H](C)CC
InChIInChI=1S/C9H18O3/c1-5-7(3)11-9(10)12-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeyRYRWDTRXCNOMOJ-OCAPTIKFSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372
butan-2-yl butan-2-yloxycarbonyl carbonate
CID 11183557
butan-2-yl butan-2-ylperoxycarbonyloxy carbonate
CID 171636508
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
1-O-[(2R)-butan-2-yl] 4-O-[(2S)-butan-2-yl] butanedioate
CID 92854984
[(2S)-butan-2-yl] cyclopropyl carbonate
CID 173085472
butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
CID 166505189
bis(1-hydroxypropan-2-yl) carbonate
CID 87589930
[(2R)-butan-2-yl] pentyl carbonate
CID 87213019
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
potassium butan-2-yloxymethanethioate
CID 23694861
acetylene;butan-2-yl hydrogen carbonate
CID 87851558

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate?
The IUPAC name of [(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate (CID 173085312) is [(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate.
What is the SMILES notation for [(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate?
The canonical SMILES for [(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate is CC[C@@H](C)OC(=O)O[C@@H](C)CC.
What is the InChIKey of [(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate?
The InChIKey is RYRWDTRXCNOMOJ-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-7(3)11-9(10)12-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8+.
What are the key properties of [(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate?
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate has a molecular weight of 174.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate is sourced from PubChem (CID 173085312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).