1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane

C24H48 — CID 123777662

IUPAC1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane
SMILESCCC(C)(CCCCCCCC1CC1C(C)C)C(C)C(C)C(C)C
InChIInChI=1S/C24H48/c1-9-24(8,21(7)20(6)18(2)3)16-14-12-10-11-13-15-22-17-23(22)19(4)5/h18-23H,9-17H2,1-8H3
InChIKeySGFBQIZMVILASK-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.35
Rot. Bonds13

About 1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane

1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane (PubChem CID 123777662) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane
PubChem CID123777662
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane
SMILESCCC(C)(CCCCCCCC1CC1C(C)C)C(C)C(C)C(C)C
InChIInChI=1S/C24H48/c1-9-24(8,21(7)20(6)18(2)3)16-14-12-10-11-13-15-22-17-23(22)19(4)5/h18-23H,9-17H2,1-8H3
InChIKeySGFBQIZMVILASK-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.35
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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Frequently Asked Questions

What is the IUPAC name of 1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane?
The IUPAC name of 1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane (CID 123777662) is 1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane is CCC(C)(CCCCCCCC1CC1C(C)C)C(C)C(C)C(C)C.
What is the InChIKey of 1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane?
The InChIKey is SGFBQIZMVILASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-9-24(8,21(7)20(6)18(2)3)16-14-12-10-11-13-15-22-17-23(22)19(4)5/h18-23H,9-17H2,1-8H3.
What are the key properties of 1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane?
1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane has a molecular weight of 336.65 g/mol, XLogP of 8.35, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethyl-8,9,10,11-tetramethyldodecyl)-2-propan-2-ylcyclopropane is sourced from PubChem (CID 123777662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).