2,3,4,5,6,7,8,9,10-nonamethyltridecane

C22H46 — CID 123419522

IUPAC2,3,4,5,6,7,8,9,10-nonamethyltridecane
SMILESCCCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C22H46/c1-12-13-15(4)17(6)19(8)21(10)22(11)20(9)18(7)16(5)14(2)3/h14-22H,12-13H2,1-11H3
InChIKeyWMBWRBFJJGOTMO-UHFFFAOYSA-N
MW310.61 g/mol
LogP7.53
Rot. Bonds10

About 2,3,4,5,6,7,8,9,10-nonamethyltridecane

2,3,4,5,6,7,8,9,10-nonamethyltridecane (PubChem CID 123419522) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,9,10-nonamethyltridecane.

Molecular Properties

Compound Name2,3,4,5,6,7,8,9,10-nonamethyltridecane
PubChem CID123419522
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name2,3,4,5,6,7,8,9,10-nonamethyltridecane
SMILESCCCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C22H46/c1-12-13-15(4)17(6)19(8)21(10)22(11)20(9)18(7)16(5)14(2)3/h14-22H,12-13H2,1-11H3
InChIKeyWMBWRBFJJGOTMO-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,9,10-nonamethyltridecane?
The IUPAC name of 2,3,4,5,6,7,8,9,10-nonamethyltridecane (CID 123419522) is 2,3,4,5,6,7,8,9,10-nonamethyltridecane.
What is the SMILES notation for 2,3,4,5,6,7,8,9,10-nonamethyltridecane?
The canonical SMILES for 2,3,4,5,6,7,8,9,10-nonamethyltridecane is CCCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C.
What is the InChIKey of 2,3,4,5,6,7,8,9,10-nonamethyltridecane?
The InChIKey is WMBWRBFJJGOTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-12-13-15(4)17(6)19(8)21(10)22(11)20(9)18(7)16(5)14(2)3/h14-22H,12-13H2,1-11H3.
What are the key properties of 2,3,4,5,6,7,8,9,10-nonamethyltridecane?
2,3,4,5,6,7,8,9,10-nonamethyltridecane has a molecular weight of 310.61 g/mol, XLogP of 7.53, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,9,10-nonamethyltridecane is sourced from PubChem (CID 123419522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).