1-(7,7-dimethylheptadecyl)-2-methylcyclopropane

C23H46 — CID 123261970

IUPAC1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
SMILESCCCCCCCCCCC(C)(C)CCCCCCC1CC1C
InChIInChI=1S/C23H46/c1-5-6-7-8-9-10-12-15-18-23(3,4)19-16-13-11-14-17-22-20-21(22)2/h21-22H,5-20H2,1-4H3
InChIKeyDYVSDRMHTCFRAE-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.54
Rot. Bonds16

About 1-(7,7-dimethylheptadecyl)-2-methylcyclopropane

1-(7,7-dimethylheptadecyl)-2-methylcyclopropane (PubChem CID 123261970) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 1-(7,7-dimethylheptadecyl)-2-methylcyclopropane.

Molecular Properties

Compound Name1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
PubChem CID123261970
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
SMILESCCCCCCCCCCC(C)(C)CCCCCCC1CC1C
InChIInChI=1S/C23H46/c1-5-6-7-8-9-10-12-15-18-23(3,4)19-16-13-11-14-17-22-20-21(22)2/h21-22H,5-20H2,1-4H3
InChIKeyDYVSDRMHTCFRAE-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

1-methyl-2-pentadecylcyclopropane
CID 54385825
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane
CID 123325960
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
16,16,21,21-tetramethylhexatriacontane
CID 174880889
1-(2-methyloctan-2-yl)-2-undecylcyclopropane
CID 153337424
azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane
CID 175336315
1,2-dioctylcyclopropane
CID 21337627
1-hexyl-2-undecylcyclopropane
CID 58049498
1-butyl-2-(5,5-dimethylhexyl)cyclopropane
CID 140604745
(4S)-3-methyl-4-nonylpyrrolidine
CID 118011662

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethylheptadecyl)-2-methylcyclopropane?
The IUPAC name of 1-(7,7-dimethylheptadecyl)-2-methylcyclopropane (CID 123261970) is 1-(7,7-dimethylheptadecyl)-2-methylcyclopropane.
What is the SMILES notation for 1-(7,7-dimethylheptadecyl)-2-methylcyclopropane?
The canonical SMILES for 1-(7,7-dimethylheptadecyl)-2-methylcyclopropane is CCCCCCCCCCC(C)(C)CCCCCCC1CC1C.
What is the InChIKey of 1-(7,7-dimethylheptadecyl)-2-methylcyclopropane?
The InChIKey is DYVSDRMHTCFRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-5-6-7-8-9-10-12-15-18-23(3,4)19-16-13-11-14-17-22-20-21(22)2/h21-22H,5-20H2,1-4H3.
What are the key properties of 1-(7,7-dimethylheptadecyl)-2-methylcyclopropane?
1-(7,7-dimethylheptadecyl)-2-methylcyclopropane 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-(7,7-dimethylheptadecyl)-2-methylcyclopropane is sourced from PubChem (CID 123261970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).