[(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane

C16H30O2 — CID 15652077

IUPAC[(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane
SMILESC=C[C@H](CCCC)[C@H](OCOC)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-4-6-10-14(5-2)16(18-13-17-3)15-11-8-7-9-12-15/h5,14-16H,2,4,6-13H2,1,3H3/t14-,16+/m1/s1
InChIKeyPERIJVMCTXHFBJ-ZBFHGGJFSA-N
MW254.41 g/mol
LogP4.55
Rot. Bonds9

About [(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane

[(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane (PubChem CID 15652077) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane.

Molecular Properties

Compound Name[(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane
PubChem CID15652077
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane
SMILESC=C[C@H](CCCC)[C@H](OCOC)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-4-6-10-14(5-2)16(18-13-17-3)15-11-8-7-9-12-15/h5,14-16H,2,4,6-13H2,1,3H3/t14-,16+/m1/s1
InChIKeyPERIJVMCTXHFBJ-ZBFHGGJFSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane?
The IUPAC name of [(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane (CID 15652077) is [(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane.
What is the SMILES notation for [(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane?
The canonical SMILES for [(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane is C=C[C@H](CCCC)[C@H](OCOC)C1CCCCC1.
What is the InChIKey of [(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane?
The InChIKey is PERIJVMCTXHFBJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-6-10-14(5-2)16(18-13-17-3)15-11-8-7-9-12-15/h5,14-16H,2,4,6-13H2,1,3H3/t14-,16+/m1/s1.
What are the key properties of [(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane?
[(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane has a molecular weight of 254.41 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane is sourced from PubChem (CID 15652077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).