1-(2-methyloctan-2-yl)-2-undecylcyclopropane

C23H46 — CID 153337424

IUPAC1-(2-methyloctan-2-yl)-2-undecylcyclopropane
SMILESCCCCCCCCCCCC1CC1C(C)(C)CCCCCC
InChIInChI=1S/C23H46/c1-5-7-9-11-12-13-14-15-16-18-21-20-22(21)23(3,4)19-17-10-8-6-2/h21-22H,5-20H2,1-4H3
InChIKeyXSGYYZWZPYBJIK-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.54
Rot. Bonds16

About 1-(2-methyloctan-2-yl)-2-undecylcyclopropane

1-(2-methyloctan-2-yl)-2-undecylcyclopropane (PubChem CID 153337424) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 1-(2-methyloctan-2-yl)-2-undecylcyclopropane.

Molecular Properties

Compound Name1-(2-methyloctan-2-yl)-2-undecylcyclopropane
PubChem CID153337424
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name1-(2-methyloctan-2-yl)-2-undecylcyclopropane
SMILESCCCCCCCCCCCC1CC1C(C)(C)CCCCCC
InChIInChI=1S/C23H46/c1-5-7-9-11-12-13-14-15-16-18-21-20-22(21)23(3,4)19-17-10-8-6-2/h21-22H,5-20H2,1-4H3
InChIKeyXSGYYZWZPYBJIK-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.54
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

azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane
CID 175336315
1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
CID 123261970
5-methyl-2-(2-methylundecan-2-yl)cyclohexan-1-amine
CID 64765358
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1-butyl-2-(5,5-dimethylhexyl)cyclopropane
CID 140604745
5-methyl-2-(2-methylnonan-2-yl)cyclohexan-1-ol
CID 64766694
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
1-propyl-2-undecylcyclopropane
CID 123636027
1-methyl-2-pentadecylcyclopropane
CID 54385825
N,5-dimethyl-2-(2-methyldecan-2-yl)cyclohexan-1-amine
CID 64764075
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloctan-2-yl)-2-undecylcyclopropane?
The IUPAC name of 1-(2-methyloctan-2-yl)-2-undecylcyclopropane (CID 153337424) is 1-(2-methyloctan-2-yl)-2-undecylcyclopropane.
What is the SMILES notation for 1-(2-methyloctan-2-yl)-2-undecylcyclopropane?
The canonical SMILES for 1-(2-methyloctan-2-yl)-2-undecylcyclopropane is CCCCCCCCCCCC1CC1C(C)(C)CCCCCC.
What is the InChIKey of 1-(2-methyloctan-2-yl)-2-undecylcyclopropane?
The InChIKey is XSGYYZWZPYBJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-5-7-9-11-12-13-14-15-16-18-21-20-22(21)23(3,4)19-17-10-8-6-2/h21-22H,5-20H2,1-4H3.
What are the key properties of 1-(2-methyloctan-2-yl)-2-undecylcyclopropane?
1-(2-methyloctan-2-yl)-2-undecylcyclopropane has a molecular weight of 322.62 g/mol, XLogP of 8.54, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloctan-2-yl)-2-undecylcyclopropane is sourced from PubChem (CID 153337424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).