(2-methyl-1-phenylpropan-2-yl)oxymethyl formate

C12H16O3 — CID 87065928

IUPAC(2-methyl-1-phenylpropan-2-yl)oxymethyl formate
SMILESCC(C)(Cc1ccccc1)OCOC=O
InChIInChI=1S/C12H16O3/c1-12(2,15-10-14-9-13)8-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3
InChIKeyGMKJAIZDUPZEAF-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.15
Rot. Bonds6

About (2-methyl-1-phenylpropan-2-yl)oxymethyl formate

(2-methyl-1-phenylpropan-2-yl)oxymethyl formate (PubChem CID 87065928) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2-methyl-1-phenylpropan-2-yl)oxymethyl formate.

Molecular Properties

Compound Name(2-methyl-1-phenylpropan-2-yl)oxymethyl formate
PubChem CID87065928
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2-methyl-1-phenylpropan-2-yl)oxymethyl formate
SMILESCC(C)(Cc1ccccc1)OCOC=O
InChIInChI=1S/C12H16O3/c1-12(2,15-10-14-9-13)8-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3
InChIKeyGMKJAIZDUPZEAF-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(2-methoxy-2-methylpropyl)benzene
CID 3842751
[2-methyl-2-(3-methylbutoxy)propyl]benzene
CID 149129100
ethylbenzene;ethyl formate
CID 123765960
(2-methyl-1-phenylpropan-2-yl) trifluoromethanesulfonate
CID 87373674
2,2-dimethoxy-3-phenylpropanal
CID 12836204
[2-phenyl-2,2-bis(sulfanyl)ethyl] formate
CID 90819679
ethane;(2-methyl-2-propan-2-yloxypropyl)benzene
CID 156811529
ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid
CID 172803061
bromomethylbenzene;ethyl formate
CID 160682480
(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
CID 102038420
(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
CID 71329533

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylpropan-2-yl)oxymethyl formate?
The IUPAC name of (2-methyl-1-phenylpropan-2-yl)oxymethyl formate (CID 87065928) is (2-methyl-1-phenylpropan-2-yl)oxymethyl formate.
What is the SMILES notation for (2-methyl-1-phenylpropan-2-yl)oxymethyl formate?
The canonical SMILES for (2-methyl-1-phenylpropan-2-yl)oxymethyl formate is CC(C)(Cc1ccccc1)OCOC=O.
What is the InChIKey of (2-methyl-1-phenylpropan-2-yl)oxymethyl formate?
The InChIKey is GMKJAIZDUPZEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2,15-10-14-9-13)8-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3.
What are the key properties of (2-methyl-1-phenylpropan-2-yl)oxymethyl formate?
(2-methyl-1-phenylpropan-2-yl)oxymethyl formate has a molecular weight of 208.26 g/mol, XLogP of 2.15, 6 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)oxymethyl formate is sourced from PubChem (CID 87065928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).