(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane

C37H76 — CID 90874427

IUPAC(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
SMILESCCC(CC)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC
InChIInChI=1S/C37H76/c1-10-31(4)19-13-20-32(5)21-14-22-33(6)23-15-24-34(7)25-16-26-35(8)27-17-28-36(9)29-18-30-37(11-2)12-3/h31-37H,10-30H2,1-9H3/t31-,32+,33+,34+,35+,36+/m0/s1
InChIKeyLONHMIWVKVIHTE-YCOHLCGMSA-N
MW521.02 g/mol
LogP13.67
Rot. Bonds27

About (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane

(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane (PubChem CID 90874427) has the molecular formula C37H76 and a molecular weight of 521.02 g/mol. Its IUPAC name is (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane.

Molecular Properties

Compound Name(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
PubChem CID90874427
Molecular FormulaC37H76
Molecular Weight521.02 g/mol
Exact Mass520.59
IUPAC Name(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
SMILESCCC(CC)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC
InChIInChI=1S/C37H76/c1-10-31(4)19-13-20-32(5)21-14-22-33(6)23-15-24-34(7)25-16-26-35(8)27-17-28-36(9)29-18-30-37(11-2)12-3/h31-37H,10-30H2,1-9H3/t31-,32+,33+,34+,35+,36+/m0/s1
InChIKeyLONHMIWVKVIHTE-YCOHLCGMSA-N
XLogP13.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane with MolForge

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Related Compounds

3-ethyl-7-methylnonane
CID 526426
3-ethyl-8-methyldecane
CID 57490930
3-ethyl-10-methyldodecane
CID 54169175
3-ethyl-6,11-dimethyltridecane
CID 123237146
(3R,7R)-3,7-dimethylnonane
CID 42626759
7-ethyl-3-methylundecane
CID 57085432
13-ethyl-3,8-dimethyloctadecane
CID 123214629
3,7-diethylnonane
CID 22089120
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
6-ethyl-2-methyloctan-1-amine
CID 169188535
2,6,10,15,19-pentamethylhenicosane
CID 6428617
6-ethyl-2,10,14-trimethylhexadecane;10-ethyl-2,6,14-trimethylhexadecane;14-ethyl-2,6,10-trimethylhexadecane;2,3,7,11,15-pentamethylhexadecane;2,6,10,14-tetramethylheptadecane;3,7,11,15-tetramethylheptadecane;3,7,11-trimethyltridecane
CID 158279904

Frequently Asked Questions

What is the IUPAC name of (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane?
The IUPAC name of (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane (CID 90874427) is (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane.
What is the SMILES notation for (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane?
The canonical SMILES for (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane is CCC(CC)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC.
What is the InChIKey of (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane?
The InChIKey is LONHMIWVKVIHTE-YCOHLCGMSA-N. The full InChI is InChI=1S/C37H76/c1-10-31(4)19-13-20-32(5)21-14-22-33(6)23-15-24-34(7)25-16-26-35(8)27-17-28-36(9)29-18-30-37(11-2)12-3/h31-37H,10-30H2,1-9H3/t31-,32+,33+,34+,35+,36+/m0/s1.
What are the key properties of (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane?
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane has a molecular weight of 521.02 g/mol, XLogP of 13.67, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane is sourced from PubChem (CID 90874427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).