1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone

C19H34O2 — CID 101197924

IUPAC1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone
SMILESCCCCCC[C@@H]1CCC[C@H](CC(=O)C2CCCCC2)O1
InChIInChI=1S/C19H34O2/c1-2-3-4-8-12-17-13-9-14-18(21-17)15-19(20)16-10-6-5-7-11-16/h16-18H,2-15H2,1H3/t17-,18-/m1/s1
InChIKeyXYJANZYVKLIGFA-QZTJIDSGSA-N
MW294.48 g/mol
LogP5.43
Rot. Bonds8

About 1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone

1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone (PubChem CID 101197924) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone
PubChem CID101197924
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone
SMILESCCCCCC[C@@H]1CCC[C@H](CC(=O)C2CCCCC2)O1
InChIInChI=1S/C19H34O2/c1-2-3-4-8-12-17-13-9-14-18(21-17)15-19(20)16-10-6-5-7-11-16/h16-18H,2-15H2,1H3/t17-,18-/m1/s1
InChIKeyXYJANZYVKLIGFA-QZTJIDSGSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 101197919
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone (CID 101197924) is 1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone is CCCCCC[C@@H]1CCC[C@H](CC(=O)C2CCCCC2)O1.
What is the InChIKey of 1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone?
The InChIKey is XYJANZYVKLIGFA-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H34O2/c1-2-3-4-8-12-17-13-9-14-18(21-17)15-19(20)16-10-6-5-7-11-16/h16-18H,2-15H2,1H3/t17-,18-/m1/s1.
What are the key properties of 1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone?
1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone has a molecular weight of 294.48 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone is sourced from PubChem (CID 101197924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).