2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane

C33H68 — CID 20658770

IUPAC2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane
SMILESCC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C33H68/c1-23(2)25(5,6)27(9,10)29(13,14)31(17,18)33(21,22)32(19,20)30(15,16)28(11,12)26(7,8)24(3)4/h23-24H,1-22H3
InChIKeyRNBFOALFVNUKNK-UHFFFAOYSA-N
MW464.91 g/mol
LogP11.53
Rot. Bonds10

About 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane

2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane (PubChem CID 20658770) has the molecular formula C33H68 and a molecular weight of 464.91 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane
PubChem CID20658770
Molecular FormulaC33H68
Molecular Weight464.91 g/mol
Exact Mass464.53
IUPAC Name2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane
SMILESCC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C33H68/c1-23(2)25(5,6)27(9,10)29(13,14)31(17,18)33(21,22)32(19,20)30(15,16)28(11,12)26(7,8)24(3)4/h23-24H,1-22H3
InChIKeyRNBFOALFVNUKNK-UHFFFAOYSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane?
The IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane (CID 20658770) is 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane.
What is the SMILES notation for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane?
The canonical SMILES for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane is CC(C)C(C)(C)C(C)(C)C(C)(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 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane?
The InChIKey is RNBFOALFVNUKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68/c1-23(2)25(5,6)27(9,10)29(13,14)31(17,18)33(21,22)32(19,20)30(15,16)28(11,12)26(7,8)24(3)4/h23-24H,1-22H3.
What are the key properties of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane?
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane has a molecular weight of 464.91 g/mol, XLogP of 11.53, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12-icosamethyltridecane is sourced from PubChem (CID 20658770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).