2,6,10,14,18,22,26-heptamethyloctacosane

C35H72 — CID 6428605

IUPAC2,6,10,14,18,22,26-heptamethyloctacosane
SMILESCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C35H72/c1-10-30(4)18-12-20-32(6)22-14-24-34(8)26-16-28-35(9)27-15-25-33(7)23-13-21-31(5)19-11-17-29(2)3/h29-35H,10-28H2,1-9H3
InChIKeyRBRPLJVTWBTAFB-UHFFFAOYSA-N
MW492.96 g/mol
LogP12.89
Rot. Bonds25

About 2,6,10,14,18,22,26-heptamethyloctacosane

2,6,10,14,18,22,26-heptamethyloctacosane (PubChem CID 6428605) has the molecular formula C35H72 and a molecular weight of 492.96 g/mol. Its IUPAC name is 2,6,10,14,18,22,26-heptamethyloctacosane.

Molecular Properties

Compound Name2,6,10,14,18,22,26-heptamethyloctacosane
PubChem CID6428605
Molecular FormulaC35H72
Molecular Weight492.96 g/mol
Exact Mass492.56
IUPAC Name2,6,10,14,18,22,26-heptamethyloctacosane
SMILESCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C35H72/c1-10-30(4)18-12-20-32(6)22-14-24-34(8)26-16-28-35(9)27-15-25-33(7)23-13-21-31(5)19-11-17-29(2)3/h29-35H,10-28H2,1-9H3
InChIKeyRBRPLJVTWBTAFB-UHFFFAOYSA-N
XLogP12.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6,10,15,19-pentamethylhenicosane
CID 6428617
2,6,13-trimethylpentadecane
CID 123742386
magnesium;2,6-dimethyloctane;dibromide
CID 175146229
2,11,23-trimethylpentacosane
CID 123728262
(3R,7R)-3,7-dimethylnonane
CID 42626759
2,5,9,13-tetramethyltetradecane
CID 58292409
2,6,10,14,19-pentamethyltetracosane
CID 6428632
2,6-dimethylundecane
CID 28453
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
2,6,10,14,19,23-hexamethylhexacosane
CID 6428620
2-methyldecane;3-methylheptane;3-methylundecane
CID 91314766
2,11-dimethyltridec-6-ene
CID 123657363

Frequently Asked Questions

What is the IUPAC name of 2,6,10,14,18,22,26-heptamethyloctacosane?
The IUPAC name of 2,6,10,14,18,22,26-heptamethyloctacosane (CID 6428605) is 2,6,10,14,18,22,26-heptamethyloctacosane.
What is the SMILES notation for 2,6,10,14,18,22,26-heptamethyloctacosane?
The canonical SMILES for 2,6,10,14,18,22,26-heptamethyloctacosane is CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 2,6,10,14,18,22,26-heptamethyloctacosane?
The InChIKey is RBRPLJVTWBTAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72/c1-10-30(4)18-12-20-32(6)22-14-24-34(8)26-16-28-35(9)27-15-25-33(7)23-13-21-31(5)19-11-17-29(2)3/h29-35H,10-28H2,1-9H3.
What are the key properties of 2,6,10,14,18,22,26-heptamethyloctacosane?
2,6,10,14,18,22,26-heptamethyloctacosane has a molecular weight of 492.96 g/mol, XLogP of 12.89, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,14,18,22,26-heptamethyloctacosane is sourced from PubChem (CID 6428605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).