[3,5-di(propan-2-yl)phenyl] formate

C13H18O2 — CID 91805824

IUPAC[3,5-di(propan-2-yl)phenyl] formate
SMILESCC(C)c1cc(OC=O)cc(C(C)C)c1
InChIInChI=1S/C13H18O2/c1-9(2)11-5-12(10(3)4)7-13(6-11)15-8-14/h5-10H,1-4H3
InChIKeySLEHWDBUIRDASD-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.47
Rot. Bonds4

About [3,5-di(propan-2-yl)phenyl] formate

[3,5-di(propan-2-yl)phenyl] formate (PubChem CID 91805824) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is [3,5-di(propan-2-yl)phenyl] formate.

Molecular Properties

Compound Name[3,5-di(propan-2-yl)phenyl] formate
PubChem CID91805824
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name[3,5-di(propan-2-yl)phenyl] formate
SMILESCC(C)c1cc(OC=O)cc(C(C)C)c1
InChIInChI=1S/C13H18O2/c1-9(2)11-5-12(10(3)4)7-13(6-11)15-8-14/h5-10H,1-4H3
InChIKeySLEHWDBUIRDASD-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-di(propan-2-yl)phenyl] formate?
The IUPAC name of [3,5-di(propan-2-yl)phenyl] formate (CID 91805824) is [3,5-di(propan-2-yl)phenyl] formate.
What is the SMILES notation for [3,5-di(propan-2-yl)phenyl] formate?
The canonical SMILES for [3,5-di(propan-2-yl)phenyl] formate is CC(C)c1cc(OC=O)cc(C(C)C)c1.
What is the InChIKey of [3,5-di(propan-2-yl)phenyl] formate?
The InChIKey is SLEHWDBUIRDASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)11-5-12(10(3)4)7-13(6-11)15-8-14/h5-10H,1-4H3.
What are the key properties of [3,5-di(propan-2-yl)phenyl] formate?
[3,5-di(propan-2-yl)phenyl] formate has a molecular weight of 206.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-di(propan-2-yl)phenyl] formate is sourced from PubChem (CID 91805824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).