trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane

C14H28O2 — CID 101213922

IUPACtrans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
SMILESCCCCCC[C@]1(CC)C[C@H]1COCOC
InChIInChI=1S/C14H28O2/c1-4-6-7-8-9-14(5-2)10-13(14)11-16-12-15-3/h13H,4-12H2,1-3H3/t13-,14+/m0/s1
InChIKeyYDNGCOUJXXSNAR-UONOGXRCSA-N
MW228.38 g/mol
LogP3.99
Rot. Bonds10

About trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane

trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane (PubChem CID 101213922) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
PubChem CID101213922
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nametrans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
SMILESCCCCCC[C@]1(CC)C[C@H]1COCOC
InChIInChI=1S/C14H28O2/c1-4-6-7-8-9-14(5-2)10-13(14)11-16-12-15-3/h13H,4-12H2,1-3H3/t13-,14+/m0/s1
InChIKeyYDNGCOUJXXSNAR-UONOGXRCSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane
CID 23660647
cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane
CID 101213914
trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
CID 134854828
2-Hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane
CID 134986609
1-Ethyl-2-hexyl-2-methyl-4,7-dioxaspiro[2.4]heptane
CID 134986766
1,1,1-Trimethoxy-7,7,8-trimethylnonane
CID 54014170
1,1-Dimethoxy-4,5,6,6-tetramethyloctane
CID 58798061
1-Tert-butyl-4-[ethoxy(methoxy)methyl]cycloheptane
CID 68018859
(1,1-Dimethoxy-2,3-dimethylbutan-2-yl)cyclopentane
CID 68287881
(1,1-Dimethoxy-2-methylheptan-2-yl)cyclopentane
CID 69765072
2-(5,5-Diethoxy-3-methylpentyl)-1,1-dimethylcyclopropane
CID 70124161
5-Cyclohexyl-5-methyl-1,3-dioxane
CID 70232095

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane?
The IUPAC name of trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane (CID 101213922) is trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane?
The canonical SMILES for trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane is CCCCCC[C@]1(CC)C[C@H]1COCOC.
What is the InChIKey of trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane?
The InChIKey is YDNGCOUJXXSNAR-UONOGXRCSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-6-7-8-9-14(5-2)10-13(14)11-16-12-15-3/h13H,4-12H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane?
trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane has a molecular weight of 228.38 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane is sourced from PubChem (CID 101213922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).