(2,6-ditert-butyl-4-propylphenyl) formate

C18H28O2 — CID 123415611

IUPAC(2,6-ditert-butyl-4-propylphenyl) formate
SMILESCCCc1cc(C(C)(C)C)c(OC=O)c(C(C)(C)C)c1
InChIInChI=1S/C18H28O2/c1-8-9-13-10-14(17(2,3)4)16(20-12-19)15(11-13)18(5,6)7/h10-12H,8-9H2,1-7H3
InChIKeyTTWHKGBZKXUNMP-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.77
Rot. Bonds4

About (2,6-ditert-butyl-4-propylphenyl) formate

(2,6-ditert-butyl-4-propylphenyl) formate (PubChem CID 123415611) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (2,6-ditert-butyl-4-propylphenyl) formate.

Molecular Properties

Compound Name(2,6-ditert-butyl-4-propylphenyl) formate
PubChem CID123415611
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(2,6-ditert-butyl-4-propylphenyl) formate
SMILESCCCc1cc(C(C)(C)C)c(OC=O)c(C(C)(C)C)c1
InChIInChI=1S/C18H28O2/c1-8-9-13-10-14(17(2,3)4)16(20-12-19)15(11-13)18(5,6)7/h10-12H,8-9H2,1-7H3
InChIKeyTTWHKGBZKXUNMP-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-4-propylphenol;methyl formate
CID 145003703
2,4,6-tris(2,6-ditert-butyl-4-propylphenoxy)-1,3,5,2,4,6-trioxatriphosphinane
CID 23320532
4-butyl-2,6-ditert-butylphenol
CID 158079570
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;octyl formate
CID 174916179
[2,4-ditert-butyl-6-[(Z)-prop-1-enyl]phenyl] formate;ethane
CID 143260568
2-tert-butyl-1-fluoro-4-propylbenzene
CID 139403848
4-(2,6-ditert-butyl-4-propylphenyl)phenol
CID 175331459
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
2-tert-butyl-6-[[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]methyliminomethyl]-4-propylphenol
CID 137103949
1,3-ditert-butyl-5-pent-3-ynyl-2-propoxybenzene
CID 83938672
2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide
CID 143215066
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
CID 158878074

Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butyl-4-propylphenyl) formate?
The IUPAC name of (2,6-ditert-butyl-4-propylphenyl) formate (CID 123415611) is (2,6-ditert-butyl-4-propylphenyl) formate.
What is the SMILES notation for (2,6-ditert-butyl-4-propylphenyl) formate?
The canonical SMILES for (2,6-ditert-butyl-4-propylphenyl) formate is CCCc1cc(C(C)(C)C)c(OC=O)c(C(C)(C)C)c1.
What is the InChIKey of (2,6-ditert-butyl-4-propylphenyl) formate?
The InChIKey is TTWHKGBZKXUNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-8-9-13-10-14(17(2,3)4)16(20-12-19)15(11-13)18(5,6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of (2,6-ditert-butyl-4-propylphenyl) formate?
(2,6-ditert-butyl-4-propylphenyl) formate has a molecular weight of 276.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butyl-4-propylphenyl) formate is sourced from PubChem (CID 123415611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).