cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane

C13H26O2 — CID 101213914

IUPACcis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane
SMILESCCCCCC[C@]1(C)C[C@H]1COCOC
InChIInChI=1S/C13H26O2/c1-4-5-6-7-8-13(2)9-12(13)10-15-11-14-3/h12H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyODCUDLGNVSKEFN-QWHCGFSZSA-N
MW214.35 g/mol
LogP3.60
Rot. Bonds9

About cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane

cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane (PubChem CID 101213914) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane.

Molecular Properties

Compound Namecis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane
PubChem CID101213914
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Namecis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane
SMILESCCCCCC[C@]1(C)C[C@H]1COCOC
InChIInChI=1S/C13H26O2/c1-4-5-6-7-8-13(2)9-12(13)10-15-11-14-3/h12H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyODCUDLGNVSKEFN-QWHCGFSZSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.60
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
trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
CID 101213922
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 cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane?
The IUPAC name of cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane (CID 101213914) is cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane.
What is the SMILES notation for cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane?
The canonical SMILES for cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane is CCCCCC[C@]1(C)C[C@H]1COCOC.
What is the InChIKey of cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane?
The InChIKey is ODCUDLGNVSKEFN-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-5-6-7-8-13(2)9-12(13)10-15-11-14-3/h12H,4-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane?
cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane has a molecular weight of 214.35 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane is sourced from PubChem (CID 101213914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).