1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane

C20H40 — CID 91067636

IUPAC1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane
SMILESCCCC(C)CC(C)C(C)CCCCC1CC(C)C1C
InChIInChI=1S/C20H40/c1-7-10-15(2)13-17(4)16(3)11-8-9-12-20-14-18(5)19(20)6/h15-20H,7-14H2,1-6H3
InChIKeyQEDRALAQMOGXSK-UHFFFAOYSA-N
MW280.54 g/mol
LogP6.94
Rot. Bonds10

About 1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane

1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane (PubChem CID 91067636) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane.

Molecular Properties

Compound Name1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane
PubChem CID91067636
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane
SMILESCCCC(C)CC(C)C(C)CCCCC1CC(C)C1C
InChIInChI=1S/C20H40/c1-7-10-15(2)13-17(4)16(3)11-8-9-12-20-14-18(5)19(20)6/h15-20H,7-14H2,1-6H3
InChIKeyQEDRALAQMOGXSK-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 56.94
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-(5-ethyl-7-methyldecyl)-2-methylcyclopropane
CID 123168355
4,5,7-trimethyldecane
CID 57490926
1,2-dimethyl-3-(2-methylheptyl)cyclobutane
CID 123911286
1-butyl-2-(9-methyldodecyl)cyclopropane
CID 123448389
1-(2,4-dimethylheptyl)-2-methylcyclopropane
CID 123484269
1-butyl-2,3,4,5-tetramethylcyclohexane
CID 167492243
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
1-methyl-2-(5-methyloctan-3-yl)cyclopropane
CID 123251321
3,5,6-trimethyldecane
CID 57490917
1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane
CID 163893736

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane?
The IUPAC name of 1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane (CID 91067636) is 1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane.
What is the SMILES notation for 1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane?
The canonical SMILES for 1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane is CCCC(C)CC(C)C(C)CCCCC1CC(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane?
The InChIKey is QEDRALAQMOGXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-7-10-15(2)13-17(4)16(3)11-8-9-12-20-14-18(5)19(20)6/h15-20H,7-14H2,1-6H3.
What are the key properties of 1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane?
1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane has a molecular weight of 280.54 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(5,6,8-trimethylundecyl)cyclobutane is sourced from PubChem (CID 91067636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).