(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate

C14H18O3 — CID 102038420

IUPAC(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H18O3/c1-4-10-16-13(15)17-14(2,3)11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3
InChIKeyAAFRZDYVMDVRBF-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.35
Rot. Bonds5

About (2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate

(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate (PubChem CID 102038420) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
PubChem CID102038420
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H18O3/c1-4-10-16-13(15)17-14(2,3)11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3
InChIKeyAAFRZDYVMDVRBF-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
CID 71329533
ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid
CID 172803061
prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate
CID 54410738
benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
CID 174794359
2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate
CID 71353605
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
tert-butyl (2S)-3-phenyl-2-(prop-2-enylamino)propanoate
CID 102580746
(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate
CID 66626118
2-amino-2-benzylbut-3-enoic acid
CID 10976314
(2S)-2-benzyl-2-methylbut-3-enoic acid
CID 93234010
(2-methylpropan-2-yl)oxycarbonyl 2-amino-2-benzyl-3-phenylpropanoate
CID 19011409
(2S)-3-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-prop-2-enoxybutanoic acid
CID 57081641

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate?
The IUPAC name of (2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate (CID 102038420) is (2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate.
What is the SMILES notation for (2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate?
The canonical SMILES for (2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate is C=CCOC(=O)OC(C)(C)Cc1ccccc1.
What is the InChIKey of (2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate?
The InChIKey is AAFRZDYVMDVRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-10-16-13(15)17-14(2,3)11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3.
What are the key properties of (2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate?
(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate has a molecular weight of 234.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate is sourced from PubChem (CID 102038420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).