[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate

C9H18O3 — CID 118177700

IUPAC[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)O[C@@H](C)C(C)C
InChIInChI=1S/C9H18O3/c1-6(2)8(5)12-9(10)11-7(3)4/h6-8H,1-5H3/t8-/m0/s1
InChIKeyLGYDDRAIOZPUTN-QMMMGPOBSA-N
MW174.24 g/mol
LogP2.59
Rot. Bonds3

About [(2S)-3-methylbutan-2-yl] propan-2-yl carbonate

[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate (PubChem CID 118177700) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(2S)-3-methylbutan-2-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
PubChem CID118177700
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)O[C@@H](C)C(C)C
InChIInChI=1S/C9H18O3/c1-6(2)8(5)12-9(10)11-7(3)4/h6-8H,1-5H3/t8-/m0/s1
InChIKeyLGYDDRAIOZPUTN-QMMMGPOBSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate
CID 134605657
[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate
CID 118920598
3-methylbutan-2-yl carbonochloridate
CID 12601448
bis(2,4-dimethylpentan-3-yl) carbonate
CID 87168840
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
[(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate
CID 100943003
[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 171574306
carbonoperoxoyloxy propan-2-yl carbonate
CID 146240336
cyclohexane;hydroxy propan-2-yl carbonate
CID 174791698
3-methylbutan-2-yl (2R)-2-amino-3-sulfanylpropanoate
CID 107774194
1-(methylamino)propan-2-yl propan-2-yl carbonate
CID 79337104

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-methylbutan-2-yl] propan-2-yl carbonate?
The IUPAC name of [(2S)-3-methylbutan-2-yl] propan-2-yl carbonate (CID 118177700) is [(2S)-3-methylbutan-2-yl] propan-2-yl carbonate.
What is the SMILES notation for [(2S)-3-methylbutan-2-yl] propan-2-yl carbonate?
The canonical SMILES for [(2S)-3-methylbutan-2-yl] propan-2-yl carbonate is CC(C)OC(=O)O[C@@H](C)C(C)C.
What is the InChIKey of [(2S)-3-methylbutan-2-yl] propan-2-yl carbonate?
The InChIKey is LGYDDRAIOZPUTN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18O3/c1-6(2)8(5)12-9(10)11-7(3)4/h6-8H,1-5H3/t8-/m0/s1.
What are the key properties of [(2S)-3-methylbutan-2-yl] propan-2-yl carbonate?
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate has a molecular weight of 174.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-methylbutan-2-yl] propan-2-yl carbonate is sourced from PubChem (CID 118177700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).