13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane

C23H46 — CID 91282167

IUPAC13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane
SMILESCCC1CC(C)CC(C)(C)C(C)CCCCCCCCCC1C
InChIInChI=1S/C23H46/c1-7-22-17-19(2)18-23(5,6)21(4)16-14-12-10-8-9-11-13-15-20(22)3/h19-22H,7-18H2,1-6H3
InChIKeyNPPOLMLWXQOCME-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.25
Rot. Bonds1

About 13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane

13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane (PubChem CID 91282167) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane.

Molecular Properties

Compound Name13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane
PubChem CID91282167
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane
SMILESCCC1CC(C)CC(C)(C)C(C)CCCCCCCCCC1C
InChIInChI=1S/C23H46/c1-7-22-17-19(2)18-23(5,6)21(4)16-14-12-10-8-9-11-13-15-20(22)3/h19-22H,7-18H2,1-6H3
InChIKeyNPPOLMLWXQOCME-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,2,8-tetramethylcyclononane
CID 123968014
1,1,2,7-tetramethylcyclooctane
CID 141451493
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
2-ethyl-1-methyl-4-propylcyclodecane
CID 123259333
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704
ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143769708
N-(3,3,4-trimethylcyclopentyl)cyclohexanamine
CID 170208159
1,1,2-trimethylcycloundecane
CID 544748
1-(2-ethylcyclohexyl)-2,5-dimethylcyclohexan-1-ol
CID 64755417

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane?
The IUPAC name of 13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane (CID 91282167) is 13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane.
What is the SMILES notation for 13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane?
The canonical SMILES for 13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane is CCC1CC(C)CC(C)(C)C(C)CCCCCCCCCC1C.
What is the InChIKey of 13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane?
The InChIKey is NPPOLMLWXQOCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-7-22-17-19(2)18-23(5,6)21(4)16-14-12-10-8-9-11-13-15-20(22)3/h19-22H,7-18H2,1-6H3.
What are the key properties of 13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane?
13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane has a molecular weight of 322.62 g/mol, XLogP of 8.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane is sourced from PubChem (CID 91282167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).