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

C12H24O2 — CID 134854828

IUPACtrans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
SMILESCCCCCC[C@@H]1C[C@H]1COCOC
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-11-8-12(11)9-14-10-13-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyUMGGUYKPRRZJHH-NEPJUHHUSA-N
MW200.32 g/mol
LogP3.21
Rot. Bonds9

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

trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane (PubChem CID 134854828) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
PubChem CID134854828
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nametrans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
SMILESCCCCCC[C@@H]1C[C@H]1COCOC
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-11-8-12(11)9-14-10-13-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyUMGGUYKPRRZJHH-NEPJUHHUSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.21
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

2-Methylundecanal dimethyl acetal
CID 109183
Octane, 1,1-dimethoxy-3,7-dimethyl-
CID 109187
1,1-Diethoxyisooctane
CID 112252
Isononane, 1,1-diethoxy-
CID 106158
Isodecane, (methylidynetris(oxy))tris-
CID 117936
[(Methoxymethoxy)methyl]cyclohexane
CID 13203846
Dimethoxymethylcyclooctane
CID 21505964
1,1-Dimethoxy-2-methyloctane
CID 86049390
tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane
CID 23660647
1,1-Diethoxy-3-ethylheptane
CID 85857362
CID 101065924
CID 101065924
cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane
CID 101213914

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane?
The IUPAC name of trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane (CID 134854828) is trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane?
The canonical SMILES for trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane is CCCCCC[C@@H]1C[C@H]1COCOC.
What is the InChIKey of trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane?
The InChIKey is UMGGUYKPRRZJHH-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-4-5-6-7-11-8-12(11)9-14-10-13-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane?
trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane has a molecular weight of 200.32 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane is sourced from PubChem (CID 134854828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).