2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane

C19H32O2 — CID 134906322

IUPAC2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
SMILESCC1=C(CC/C=C\CCOC2CCCCO2)CCC[C@H]1C
InChIInChI=1S/C19H32O2/c1-16-10-9-12-18(17(16)2)11-5-3-4-7-14-20-19-13-6-8-15-21-19/h3-4,16,19H,5-15H2,1-2H3/b4-3-/t16-,19?/m1/s1
InChIKeyNZSPVHKGMJPFQP-ZUNQZDIFSA-N
MW292.46 g/mol
LogP5.39
Rot. Bonds7

About 2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane

2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane (PubChem CID 134906322) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
PubChem CID134906322
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
SMILESCC1=C(CC/C=C\CCOC2CCCCO2)CCC[C@H]1C
InChIInChI=1S/C19H32O2/c1-16-10-9-12-18(17(16)2)11-5-3-4-7-14-20-19-13-6-8-15-21-19/h3-4,16,19H,5-15H2,1-2H3/b4-3-/t16-,19?/m1/s1
InChIKeyNZSPVHKGMJPFQP-ZUNQZDIFSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane?
The IUPAC name of 2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane (CID 134906322) is 2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane?
The canonical SMILES for 2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane is CC1=C(CC/C=C\CCOC2CCCCO2)CCC[C@H]1C.
What is the InChIKey of 2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane?
The InChIKey is NZSPVHKGMJPFQP-ZUNQZDIFSA-N. The full InChI is InChI=1S/C19H32O2/c1-16-10-9-12-18(17(16)2)11-5-3-4-7-14-20-19-13-6-8-15-21-19/h3-4,16,19H,5-15H2,1-2H3/b4-3-/t16-,19?/m1/s1.
What are the key properties of 2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane?
2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane has a molecular weight of 292.46 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane is sourced from PubChem (CID 134906322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).