3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane

C32H66 — CID 59966829

IUPAC3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
SMILESCCCC(C)CC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC
InChIInChI=1S/C32H66/c1-16-18-20(3)19-22(5)24(7)26(9)28(11)30(13)32(15)31(14)29(12)27(10)25(8)23(6)21(4)17-2/h20-32H,16-19H2,1-15H3
InChIKeyAYJVMZNZLNOYKK-UHFFFAOYSA-N
MW450.88 g/mol
LogP10.86
Rot. Bonds16

About 3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane

3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane (PubChem CID 59966829) has the molecular formula C32H66 and a molecular weight of 450.88 g/mol. Its IUPAC name is 3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane.

Molecular Properties

Compound Name3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
PubChem CID59966829
Molecular FormulaC32H66
Molecular Weight450.88 g/mol
Exact Mass450.52
IUPAC Name3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
SMILESCCCC(C)CC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC
InChIInChI=1S/C32H66/c1-16-18-20(3)19-22(5)24(7)26(9)28(11)30(13)32(15)31(14)29(12)27(10)25(8)23(6)21(4)17-2/h20-32H,16-19H2,1-15H3
InChIKeyAYJVMZNZLNOYKK-UHFFFAOYSA-N
XLogP10.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane?
The IUPAC name of 3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane (CID 59966829) is 3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane.
What is the SMILES notation for 3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane?
The canonical SMILES for 3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane is CCCC(C)CC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC.
What is the InChIKey of 3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane?
The InChIKey is AYJVMZNZLNOYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66/c1-16-18-20(3)19-22(5)24(7)26(9)28(11)30(13)32(15)31(14)29(12)27(10)25(8)23(6)21(4)17-2/h20-32H,16-19H2,1-15H3.
What are the key properties of 3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane?
3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane has a molecular weight of 450.88 g/mol, XLogP of 10.86, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane is sourced from PubChem (CID 59966829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).