(4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane

C26H52 — CID 123455117

IUPAC(4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane
SMILESCCC(C(C)C(C1CCC1)C(CC)C(C)(CC)C(C)CC)C(C)(C)CC
InChIInChI=1S/C26H52/c1-11-19(6)26(10,15-5)23(13-3)24(21-17-16-18-21)20(7)22(12-2)25(8,9)14-4/h19-24H,11-18H2,1-10H3
InChIKeyRKTBSSJXTDXLEF-UHFFFAOYSA-N
MW364.70 g/mol
LogP8.99
Rot. Bonds12

About (4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane

(4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane (PubChem CID 123455117) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is (4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane.

Molecular Properties

Compound Name(4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane
PubChem CID123455117
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Name(4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane
SMILESCCC(C(C)C(C1CCC1)C(CC)C(C)(CC)C(C)CC)C(C)(C)CC
InChIInChI=1S/C26H52/c1-11-19(6)26(10,15-5)23(13-3)24(21-17-16-18-21)20(7)22(12-2)25(8,9)14-4/h19-24H,11-18H2,1-10H3
InChIKeyRKTBSSJXTDXLEF-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-diethyl-4,5-dimethylheptane
CID 57491367
4,4-dimethylhexan-3-ylcyclohexane;methane
CID 170707005
ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850
1-cyclobutyl-3,3-dimethylpentan-2-ol
CID 115802513
3,5,6,6-tetramethylheptan-2-ylcyclobutane
CID 123690991
2-methyl-1-[(4-propan-2-ylcycloheptyl)amino]butan-2-ol
CID 65102608
2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
CID 115808372
2-cyclobutyl-N,3-dimethylpentan-2-amine
CID 155373866
(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane
CID 163612675
3-cyclobutyl-2-methylpentan-2-amine
CID 137411422
1-cyclopropyl-5-(3-ethyl-3,4-dimethylhexan-2-yl)-2,4,5-trimethylbicyclo[2.1.0]pentane
CID 123596005
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397

Frequently Asked Questions

What is the IUPAC name of (4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane?
The IUPAC name of (4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane (CID 123455117) is (4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane.
What is the SMILES notation for (4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane?
The canonical SMILES for (4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane is CCC(C(C)C(C1CCC1)C(CC)C(C)(CC)C(C)CC)C(C)(C)CC.
What is the InChIKey of (4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane?
The InChIKey is RKTBSSJXTDXLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52/c1-11-19(6)26(10,15-5)23(13-3)24(21-17-16-18-21)20(7)22(12-2)25(8,9)14-4/h19-24H,11-18H2,1-10H3.
What are the key properties of (4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane?
(4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane has a molecular weight of 364.70 g/mol, XLogP of 8.99, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7,8-triethyl-3,3,5,8,9-pentamethylundecan-6-yl)cyclobutane is sourced from PubChem (CID 123455117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).