(2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane

C19H34O2 — CID 101197919

IUPAC(2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane
SMILESC=C(O[C@H]1CCC[C@@H](CCCCCC)O1)C1CCCCC1
InChIInChI=1S/C19H34O2/c1-3-4-5-9-13-18-14-10-15-19(21-18)20-16(2)17-11-7-6-8-12-17/h17-19H,2-15H2,1H3/t18-,19-/m1/s1
InChIKeyLBKMDTYPSIQSBL-RTBURBONSA-N
MW294.48 g/mol
LogP5.96
Rot. Bonds8

About (2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane

(2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane (PubChem CID 101197919) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane.

Molecular Properties

Compound Name(2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane
PubChem CID101197919
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane
SMILESC=C(O[C@H]1CCC[C@@H](CCCCCC)O1)C1CCCCC1
InChIInChI=1S/C19H34O2/c1-3-4-5-9-13-18-14-10-15-19(21-18)20-16(2)17-11-7-6-8-12-17/h17-19H,2-15H2,1H3/t18-,19-/m1/s1
InChIKeyLBKMDTYPSIQSBL-RTBURBONSA-N
XLogP5.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.96
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

(2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane
CID 10778341
1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone
CID 101197924
[(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane
CID 177483375
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
methyl 4-(6-heptadecyloxan-2-yl)butanoate
CID 543638
(2R,3S,7S)-7-hexyl-2-methoxy-3-methyloxepane
CID 101186418
[(2S,5R)-5-decyloxolan-2-yl]methanol
CID 42627830
(2R,6R)-6-butyloxan-2-ol
CID 130757753
[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
CID 57189033
(5-heptyloxolan-2-yl)methanol
CID 11820121
7-pentyloxepane-2-carbonitrile
CID 10559768
1-hexyl-4-(1-methoxyethenyl)cyclohexane
CID 163498140

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane?
The IUPAC name of (2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane (CID 101197919) is (2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane.
What is the SMILES notation for (2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane?
The canonical SMILES for (2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane is C=C(O[C@H]1CCC[C@@H](CCCCCC)O1)C1CCCCC1.
What is the InChIKey of (2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane?
The InChIKey is LBKMDTYPSIQSBL-RTBURBONSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-4-5-9-13-18-14-10-15-19(21-18)20-16(2)17-11-7-6-8-12-17/h17-19H,2-15H2,1H3/t18-,19-/m1/s1.
What are the key properties of (2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane?
(2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane has a molecular weight of 294.48 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane is sourced from PubChem (CID 101197919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).