5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane

C28H52 — CID 143723529

IUPAC5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane
SMILESCCCCCC1(C)C(C)CCC2(C)CCCC3(CC)CCCC3C(C)CCC21
InChIInChI=1S/C28H52/c1-7-9-10-18-27(6)23(4)16-21-26(5)17-12-20-28(8-2)19-11-13-24(28)22(3)14-15-25(26)27/h22-25H,7-21H2,1-6H3
InChIKeyWFPYZPYOGOVHGQ-UHFFFAOYSA-N
MW388.72 g/mol
LogP9.42
Rot. Bonds5

About 5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane

5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane (PubChem CID 143723529) has the molecular formula C28H52 and a molecular weight of 388.72 g/mol. Its IUPAC name is 5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane.

Molecular Properties

Compound Name5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane
PubChem CID143723529
Molecular FormulaC28H52
Molecular Weight388.72 g/mol
Exact Mass388.41
IUPAC Name5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane
SMILESCCCCCC1(C)C(C)CCC2(C)CCCC3(CC)CCCC3C(C)CCC21
InChIInChI=1S/C28H52/c1-7-9-10-18-27(6)23(4)16-21-26(5)17-12-20-28(8-2)19-11-13-24(28)22(3)14-15-25(26)27/h22-25H,7-21H2,1-6H3
InChIKeyWFPYZPYOGOVHGQ-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.72
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethylcyclopentyl)-2-methylcyclohexane
CID 173420432
2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane
CID 174725274
8-methyl-8-pentyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 175589462
7-hexyl-7,8-dimethylbicyclo[4.2.0]octane
CID 163618137
(1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol
CID 100968661
3a-ethyl-5b,8,8,9,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene
CID 145495276
2-methyl-1-propylcyclopentane-1-carbaldehyde
CID 130655342
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
2-methyl-5-(1-methylcyclobutyl)-3-pentylbicyclo[2.1.0]pentane
CID 123283169
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
CID 68744336
1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane
CID 177218967
7-butyl-1-ethylbicyclo[4.2.0]octane
CID 123810083

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane?
The IUPAC name of 5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane (CID 143723529) is 5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane.
What is the SMILES notation for 5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane?
The canonical SMILES for 5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane is CCCCCC1(C)C(C)CCC2(C)CCCC3(CC)CCCC3C(C)CCC21.
What is the InChIKey of 5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane?
The InChIKey is WFPYZPYOGOVHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52/c1-7-9-10-18-27(6)23(4)16-21-26(5)17-12-20-28(8-2)19-11-13-24(28)22(3)14-15-25(26)27/h22-25H,7-21H2,1-6H3.
What are the key properties of 5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane?
5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane has a molecular weight of 388.72 g/mol, XLogP of 9.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,10,14,15-tetramethyl-14-pentyltricyclo[11.4.0.05,9]heptadecane is sourced from PubChem (CID 143723529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).