2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane

C25H52 — CID 123540393

IUPAC2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane
SMILESCCC(C)(C)C(C)C(C)C(C)C(C)C(C)(C)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C25H52/c1-15-24(11,12)21(8)19(6)20(7)23(10)25(13,14)22(9)18(5)17(4)16(2)3/h16-23H,15H2,1-14H3
InChIKeyXBISHQTXEHKEKS-UHFFFAOYSA-N
MW352.69 g/mol
LogP8.56
Rot. Bonds10

About 2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane

2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane (PubChem CID 123540393) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane.

Molecular Properties

Compound Name2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane
PubChem CID123540393
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane
SMILESCCC(C)(C)C(C)C(C)C(C)C(C)C(C)(C)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C25H52/c1-15-24(11,12)21(8)19(6)20(7)23(10)25(13,14)22(9)18(5)17(4)16(2)3/h16-23H,15H2,1-14H3
InChIKeyXBISHQTXEHKEKS-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane?
The IUPAC name of 2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane (CID 123540393) is 2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane.
What is the SMILES notation for 2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane?
The canonical SMILES for 2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane is CCC(C)(C)C(C)C(C)C(C)C(C)C(C)(C)C(C)C(C)C(C)C(C)C.
What is the InChIKey of 2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane?
The InChIKey is XBISHQTXEHKEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-15-24(11,12)21(8)19(6)20(7)23(10)25(13,14)22(9)18(5)17(4)16(2)3/h16-23H,15H2,1-14H3.
What are the key properties of 2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane?
2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane has a molecular weight of 352.69 g/mol, XLogP of 8.56, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane is sourced from PubChem (CID 123540393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).