propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate

C19H38O2 — CID 173451742

IUPACpropan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate
SMILESCC(C)OC(=O)C(C(C)C)(C(C)C)C(C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O2/c1-12(2)18(11,13(3)4)19(14(5)6,15(7)8)17(20)21-16(9)10/h12-16H,1-11H3
InChIKeyQBANBVJXQYJRSP-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.55
Rot. Bonds7

About propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate

propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate (PubChem CID 173451742) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate.

Molecular Properties

Compound Namepropan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate
PubChem CID173451742
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Namepropan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate
SMILESCC(C)OC(=O)C(C(C)C)(C(C)C)C(C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O2/c1-12(2)18(11,13(3)4)19(14(5)6,15(7)8)17(20)21-16(9)10/h12-16H,1-11H3
InChIKeyQBANBVJXQYJRSP-UHFFFAOYSA-N
XLogP5.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate?
The IUPAC name of propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate (CID 173451742) is propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate.
What is the SMILES notation for propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate?
The canonical SMILES for propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate is CC(C)OC(=O)C(C(C)C)(C(C)C)C(C)(C(C)C)C(C)C.
What is the InChIKey of propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate?
The InChIKey is QBANBVJXQYJRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-12(2)18(11,13(3)4)19(14(5)6,15(7)8)17(20)21-16(9)10/h12-16H,1-11H3.
What are the key properties of propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate?
propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate has a molecular weight of 298.51 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate is sourced from PubChem (CID 173451742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).