trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane

C15H28O2 — CID 134970651

IUPACtrans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane
SMILESC=C(C)[C@@]1(CCCCCC)C[C@H]1COCOC
InChIInChI=1S/C15H28O2/c1-5-6-7-8-9-15(13(2)3)10-14(15)11-17-12-16-4/h14H,2,5-12H2,1,3-4H3/t14-,15+/m0/s1
InChIKeyCJDCKGDGBPADFA-LSDHHAIUSA-N
MW240.39 g/mol
LogP4.16
Rot. Bonds10

About trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane

trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane (PubChem CID 134970651) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane
PubChem CID134970651
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nametrans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane
SMILESC=C(C)[C@@]1(CCCCCC)C[C@H]1COCOC
InChIInChI=1S/C15H28O2/c1-5-6-7-8-9-15(13(2)3)10-14(15)11-17-12-16-4/h14H,2,5-12H2,1,3-4H3/t14-,15+/m0/s1
InChIKeyCJDCKGDGBPADFA-LSDHHAIUSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.16
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane?
The IUPAC name of trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane (CID 134970651) is trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane.
What is the SMILES notation for trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane?
The canonical SMILES for trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane is C=C(C)[C@@]1(CCCCCC)C[C@H]1COCOC.
What is the InChIKey of trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane?
The InChIKey is CJDCKGDGBPADFA-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-6-7-8-9-15(13(2)3)10-14(15)11-17-12-16-4/h14H,2,5-12H2,1,3-4H3/t14-,15+/m0/s1.
What are the key properties of trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane?
trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane has a molecular weight of 240.39 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-prop-1-en-2-ylcyclopropane is sourced from PubChem (CID 134970651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).