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

C8H14O3 — CID 173085472

IUPAC[(2S)-butan-2-yl] cyclopropyl carbonate
SMILESCC[C@H](C)OC(=O)OC1CC1
InChIInChI=1S/C8H14O3/c1-3-6(2)10-8(9)11-7-4-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyGGIHJHBQTPPKOC-LURJTMIESA-N
MW158.20 g/mol
LogP2.10
Rot. Bonds3

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

[(2S)-butan-2-yl] cyclopropyl carbonate (PubChem CID 173085472) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(2S)-butan-2-yl] cyclopropyl carbonate.

Molecular Properties

Compound Name[(2S)-butan-2-yl] cyclopropyl carbonate
PubChem CID173085472
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(2S)-butan-2-yl] cyclopropyl carbonate
SMILESCC[C@H](C)OC(=O)OC1CC1
InChIInChI=1S/C8H14O3/c1-3-6(2)10-8(9)11-7-4-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyGGIHJHBQTPPKOC-LURJTMIESA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-yl 1,3-dioxan-5-yl carbonate;ethane
CID 143939629
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
cyclopropyl 2,2-dimethylpentan-3-yl carbonate
CID 58430375
[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372
butan-2-yl butan-2-yloxycarbonyl carbonate
CID 11183557
4-O-butan-2-yl 1-O-cyclopentyl (E)-but-2-enedioate
CID 150067611
cyclopentyl 1-iodopropyl carbonate
CID 19894514
butan-2-yloxycarbonyl cyclohexanecarboxylate
CID 23002569
tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate
CID 23066882
butan-2-yl butan-2-ylperoxycarbonyloxy carbonate
CID 171636508
cyclopentyl 1-iodobutyl carbonate
CID 86119197
4-butan-2-yloxycyclohexane-1-carboxylic acid
CID 90797146

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl] cyclopropyl carbonate?
The IUPAC name of [(2S)-butan-2-yl] cyclopropyl carbonate (CID 173085472) is [(2S)-butan-2-yl] cyclopropyl carbonate.
What is the SMILES notation for [(2S)-butan-2-yl] cyclopropyl carbonate?
The canonical SMILES for [(2S)-butan-2-yl] cyclopropyl carbonate is CC[C@H](C)OC(=O)OC1CC1.
What is the InChIKey of [(2S)-butan-2-yl] cyclopropyl carbonate?
The InChIKey is GGIHJHBQTPPKOC-LURJTMIESA-N. The full InChI is InChI=1S/C8H14O3/c1-3-6(2)10-8(9)11-7-4-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of [(2S)-butan-2-yl] cyclopropyl carbonate?
[(2S)-butan-2-yl] cyclopropyl carbonate has a molecular weight of 158.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl] cyclopropyl carbonate is sourced from PubChem (CID 173085472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).