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

C10H18O6 — CID 97292372

IUPAC[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
SMILESCC[C@@H](C)OC(=O)OOC(=O)O[C@H](C)CC
InChIInChI=1S/C10H18O6/c1-5-7(3)13-9(11)15-16-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyNSGQRLUGQNBHLD-HTQZYQBOSA-N
MW234.25 g/mol
LogP2.80
Rot. Bonds4

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

[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate (PubChem CID 97292372) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is [(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate.

Molecular Properties

Compound Name[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
PubChem CID97292372
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
SMILESCC[C@@H](C)OC(=O)OOC(=O)O[C@H](C)CC
InChIInChI=1S/C10H18O6/c1-5-7(3)13-9(11)15-16-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyNSGQRLUGQNBHLD-HTQZYQBOSA-N
XLogP2.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

butan-2-yl butan-2-ylperoxycarbonyloxy carbonate
CID 171636508
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
butan-2-yl butan-2-yloxycarbonyl carbonate
CID 11183557
butan-2-yl butan-2-yloxycarbonyloxy carbonate;2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate
CID 122553511
1-O-[(2R)-butan-2-yl] 4-O-[(2S)-butan-2-yl] butanedioate
CID 92854984
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
[(2S)-butan-2-yl] cyclopropyl carbonate
CID 173085472
butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
CID 166505189
[(2R)-butan-2-yl] pentyl carbonate
CID 87213019
potassium butan-2-yloxymethanethioate
CID 23694861
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
acetylene;butan-2-yl hydrogen carbonate
CID 87851558

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate?
The IUPAC name of [(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate (CID 97292372) is [(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate.
What is the SMILES notation for [(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate?
The canonical SMILES for [(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate is CC[C@@H](C)OC(=O)OOC(=O)O[C@H](C)CC.
What is the InChIKey of [(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate?
The InChIKey is NSGQRLUGQNBHLD-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18O6/c1-5-7(3)13-9(11)15-16-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of [(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate?
[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate has a molecular weight of 234.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate is sourced from PubChem (CID 97292372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).