2,5,5,6,9,13,16,17,18-nonamethylicosane

C29H60 — CID 123674031

IUPAC2,5,5,6,9,13,16,17,18-nonamethylicosane
SMILESCCC(C)C(C)C(C)CCC(C)CCCC(C)CCC(C)C(C)(C)CCC(C)C
InChIInChI=1S/C29H60/c1-12-25(6)28(9)26(7)18-16-23(4)14-13-15-24(5)17-19-27(8)29(10,11)21-20-22(2)3/h22-28H,12-21H2,1-11H3
InChIKeyRCAAZLRWZBQHKS-UHFFFAOYSA-N
MW408.80 g/mol
LogP10.41
Rot. Bonds17

About 2,5,5,6,9,13,16,17,18-nonamethylicosane

2,5,5,6,9,13,16,17,18-nonamethylicosane (PubChem CID 123674031) has the molecular formula C29H60 and a molecular weight of 408.80 g/mol. Its IUPAC name is 2,5,5,6,9,13,16,17,18-nonamethylicosane.

Molecular Properties

Compound Name2,5,5,6,9,13,16,17,18-nonamethylicosane
PubChem CID123674031
Molecular FormulaC29H60
Molecular Weight408.80 g/mol
Exact Mass408.47
IUPAC Name2,5,5,6,9,13,16,17,18-nonamethylicosane
SMILESCCC(C)C(C)C(C)CCC(C)CCCC(C)CCC(C)C(C)(C)CCC(C)C
InChIInChI=1S/C29H60/c1-12-25(6)28(9)26(7)18-16-23(4)14-13-15-24(5)17-19-27(8)29(10,11)21-20-22(2)3/h22-28H,12-21H2,1-11H3
InChIKeyRCAAZLRWZBQHKS-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5,5,6-tetramethyloctane
CID 53424276
2,5,6,9,10,10-hexamethyltridecane
CID 144617214
14-ethyl-2,6,7,10-tetramethylhexadecane
CID 159635838
2,3,6,10,14,15-hexamethylhexadecane;bis(2,3,7,11,15-pentamethylheptadecane);2,4,8,12,16-pentamethylheptadecane;2,6,7,10,14-pentamethylheptadecane;2,6,10,10,14-pentamethylheptadecane;2,6,10,14,15-pentamethylheptadecane;3,7,8,11,15-pentamethylheptadecane;3,7,11,15-tetramethylheptadecane
CID 159136982
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
2,5,9,13-tetramethyltetradecane
CID 58292409
3,5,5,6,10-pentamethyldodecane
CID 91028841
14-methoxy-2,6,10,14-tetramethylhexadecane
CID 91173941
2,6,10,15,19-pentamethylhenicosane
CID 6428617
3,4,7-trimethyldodecane
CID 123406738
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
2,2-dimethoxy-6,10,14-trimethylpentadecane
CID 118520250

Frequently Asked Questions

What is the IUPAC name of 2,5,5,6,9,13,16,17,18-nonamethylicosane?
The IUPAC name of 2,5,5,6,9,13,16,17,18-nonamethylicosane (CID 123674031) is 2,5,5,6,9,13,16,17,18-nonamethylicosane.
What is the SMILES notation for 2,5,5,6,9,13,16,17,18-nonamethylicosane?
The canonical SMILES for 2,5,5,6,9,13,16,17,18-nonamethylicosane is CCC(C)C(C)C(C)CCC(C)CCCC(C)CCC(C)C(C)(C)CCC(C)C.
What is the InChIKey of 2,5,5,6,9,13,16,17,18-nonamethylicosane?
The InChIKey is RCAAZLRWZBQHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60/c1-12-25(6)28(9)26(7)18-16-23(4)14-13-15-24(5)17-19-27(8)29(10,11)21-20-22(2)3/h22-28H,12-21H2,1-11H3.
What are the key properties of 2,5,5,6,9,13,16,17,18-nonamethylicosane?
2,5,5,6,9,13,16,17,18-nonamethylicosane has a molecular weight of 408.80 g/mol, XLogP of 10.41, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,6,9,13,16,17,18-nonamethylicosane is sourced from PubChem (CID 123674031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).