butan-2-yl butan-2-yloxycarbonyl carbonate

C10H18O5 — CID 11183557

IUPACbutan-2-yl butan-2-yloxycarbonyl carbonate
SMILESCCC(C)OC(=O)OC(=O)OC(C)CC
InChIInChI=1S/C10H18O5/c1-5-7(3)13-9(11)15-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyPRUGMAWKMXYGFZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.87
Rot. Bonds4

About butan-2-yl butan-2-yloxycarbonyl carbonate

butan-2-yl butan-2-yloxycarbonyl carbonate (PubChem CID 11183557) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is butan-2-yl butan-2-yloxycarbonyl carbonate.

Molecular Properties

Compound Namebutan-2-yl butan-2-yloxycarbonyl carbonate
PubChem CID11183557
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namebutan-2-yl butan-2-yloxycarbonyl carbonate
SMILESCCC(C)OC(=O)OC(=O)OC(C)CC
InChIInChI=1S/C10H18O5/c1-5-7(3)13-9(11)15-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyPRUGMAWKMXYGFZ-UHFFFAOYSA-N
XLogP2.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372
butan-2-yl butan-2-yloxycarbonyl carbonate;2,7-dimethylocta-3,5-diyne-2,7-diol
CID 160606085
butan-2-yl butan-2-ylperoxycarbonyloxy carbonate
CID 171636508
butan-2-yloxycarbonyl cyclohexanecarboxylate
CID 23002569
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
butan-2-yl propanoate;sulfur dioxide
CID 159892772
[(2R)-butan-2-yl] pentyl carbonate
CID 87213019
potassium butan-2-yloxymethanethioate
CID 23694861

Frequently Asked Questions

What is the IUPAC name of butan-2-yl butan-2-yloxycarbonyl carbonate?
The IUPAC name of butan-2-yl butan-2-yloxycarbonyl carbonate (CID 11183557) is butan-2-yl butan-2-yloxycarbonyl carbonate.
What is the SMILES notation for butan-2-yl butan-2-yloxycarbonyl carbonate?
The canonical SMILES for butan-2-yl butan-2-yloxycarbonyl carbonate is CCC(C)OC(=O)OC(=O)OC(C)CC.
What is the InChIKey of butan-2-yl butan-2-yloxycarbonyl carbonate?
The InChIKey is PRUGMAWKMXYGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-5-7(3)13-9(11)15-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of butan-2-yl butan-2-yloxycarbonyl carbonate?
butan-2-yl butan-2-yloxycarbonyl carbonate has a molecular weight of 218.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl butan-2-yloxycarbonyl carbonate is sourced from PubChem (CID 11183557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).