benzyl 1-propan-2-yloxyethyl carbonate

C13H18O4 — CID 118149586

IUPACbenzyl 1-propan-2-yloxyethyl carbonate
SMILESCC(C)OC(C)OC(=O)OCc1ccccc1
InChIInChI=1S/C13H18O4/c1-10(2)16-11(3)17-13(14)15-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyPQRXGLLUFHIIMO-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.11
Rot. Bonds5

About benzyl 1-propan-2-yloxyethyl carbonate

benzyl 1-propan-2-yloxyethyl carbonate (PubChem CID 118149586) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is benzyl 1-propan-2-yloxyethyl carbonate.

Molecular Properties

Compound Namebenzyl 1-propan-2-yloxyethyl carbonate
PubChem CID118149586
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namebenzyl 1-propan-2-yloxyethyl carbonate
SMILESCC(C)OC(C)OC(=O)OCc1ccccc1
InChIInChI=1S/C13H18O4/c1-10(2)16-11(3)17-13(14)15-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyPQRXGLLUFHIIMO-UHFFFAOYSA-N
XLogP3.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl 1-thiocyanatoethyl carbonate
CID 14026956
2-phenylmethoxycarbonyloxybutanoic acid
CID 126720889
benzyl 1,2,2-trifluoroethyl carbonate
CID 70262642
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764
benzyl 3-hydroxybutyl carbonate
CID 15121666
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
phenylmethoxycarbonyl acetate
CID 88811715
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045

Frequently Asked Questions

What is the IUPAC name of benzyl 1-propan-2-yloxyethyl carbonate?
The IUPAC name of benzyl 1-propan-2-yloxyethyl carbonate (CID 118149586) is benzyl 1-propan-2-yloxyethyl carbonate.
What is the SMILES notation for benzyl 1-propan-2-yloxyethyl carbonate?
The canonical SMILES for benzyl 1-propan-2-yloxyethyl carbonate is CC(C)OC(C)OC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 1-propan-2-yloxyethyl carbonate?
The InChIKey is PQRXGLLUFHIIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-10(2)16-11(3)17-13(14)15-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3.
What are the key properties of benzyl 1-propan-2-yloxyethyl carbonate?
benzyl 1-propan-2-yloxyethyl carbonate has a molecular weight of 238.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-propan-2-yloxyethyl carbonate is sourced from PubChem (CID 118149586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).