(2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane

C17H32O2 — CID 10778341

IUPAC(2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane
SMILESC=C(CCCC)O[C@@H]1CCC[C@H](CCCCCC)O1
InChIInChI=1S/C17H32O2/c1-4-6-8-9-12-16-13-10-14-17(19-16)18-15(3)11-7-5-2/h16-17H,3-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyBEDBYWGTVZFHOX-IRXDYDNUSA-N
MW268.44 g/mol
LogP5.57
Rot. Bonds10

About (2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane

(2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane (PubChem CID 10778341) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane.

Molecular Properties

Compound Name(2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane
PubChem CID10778341
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane
SMILESC=C(CCCC)O[C@@H]1CCC[C@H](CCCCCC)O1
InChIInChI=1S/C17H32O2/c1-4-6-8-9-12-16-13-10-14-17(19-16)18-15(3)11-7-5-2/h16-17H,3-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyBEDBYWGTVZFHOX-IRXDYDNUSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane
CID 101197919
[(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane
CID 177483375
methyl 4-(6-heptadecyloxan-2-yl)butanoate
CID 543638
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
(2R,3S,7S)-7-hexyl-2-methoxy-3-methyloxepane
CID 101186418
[(2S,5R)-5-decyloxolan-2-yl]methanol
CID 42627830
[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
CID 57189033
(2R,6R)-6-butyloxan-2-ol
CID 130757753
(5-heptyloxolan-2-yl)methanol
CID 11820121
1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone
CID 101197924
2-methyl-5-octadecyloxolane
CID 167511066
2-tetradecyloxolane
CID 10683364

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane?
The IUPAC name of (2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane (CID 10778341) is (2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane.
What is the SMILES notation for (2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane?
The canonical SMILES for (2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane is C=C(CCCC)O[C@@H]1CCC[C@H](CCCCCC)O1.
What is the InChIKey of (2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane?
The InChIKey is BEDBYWGTVZFHOX-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-6-8-9-12-16-13-10-14-17(19-16)18-15(3)11-7-5-2/h16-17H,3-14H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane?
(2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane has a molecular weight of 268.44 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane is sourced from PubChem (CID 10778341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).