2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane

C30H62 — CID 14139292

IUPAC2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane
SMILESCCC(C)CCC(CCC(C)CCCC(C)CCCC(C)C)C(C)CCCC(C)C
InChIInChI=1S/C30H62/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(7)16-11-14-24(2)3/h24-30H,10-23H2,1-9H3
InChIKeyZYUQNRLZGGWDML-UHFFFAOYSA-N
MW422.83 g/mol
LogP10.94
Rot. Bonds20

About 2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane

2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane (PubChem CID 14139292) has the molecular formula C30H62 and a molecular weight of 422.83 g/mol. Its IUPAC name is 2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane.

Molecular Properties

Compound Name2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane
PubChem CID14139292
Molecular FormulaC30H62
Molecular Weight422.83 g/mol
Exact Mass422.49
IUPAC Name2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane
SMILESCCC(C)CCC(CCC(C)CCCC(C)CCCC(C)C)C(C)CCCC(C)C
InChIInChI=1S/C30H62/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(7)16-11-14-24(2)3/h24-30H,10-23H2,1-9H3
InChIKeyZYUQNRLZGGWDML-UHFFFAOYSA-N
XLogP10.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.83
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane?
The IUPAC name of 2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane (CID 14139292) is 2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane.
What is the SMILES notation for 2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane?
The canonical SMILES for 2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane is CCC(C)CCC(CCC(C)CCCC(C)CCCC(C)C)C(C)CCCC(C)C.
What is the InChIKey of 2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane?
The InChIKey is ZYUQNRLZGGWDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(7)16-11-14-24(2)3/h24-30H,10-23H2,1-9H3.
What are the key properties of 2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane?
2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane has a molecular weight of 422.83 g/mol, XLogP of 10.94, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,14,18-pentamethyl-7-(3-methylpentyl)nonadecane is sourced from PubChem (CID 14139292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).