8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene

C19H28FNO — CID 89344837

IUPAC8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C(F)\C=C/C1=CC2(CCN(C3CCCCC3)CC2)CO1
InChIInChI=1S/C19H28FNO/c1-2-16(20)8-9-18-14-19(15-22-18)10-12-21(13-11-19)17-6-4-3-5-7-17/h2,8-9,14,17H,3-7,10-13,15H2,1H3/b9-8-,16-2+
InChIKeyDPXMIBSZBSPZFB-VRAHBGQZSA-N
MW305.44 g/mol
LogP4.74
Rot. Bonds3

About 8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene

8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 89344837) has the molecular formula C19H28FNO and a molecular weight of 305.44 g/mol. Its IUPAC name is 8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID89344837
Molecular FormulaC19H28FNO
Molecular Weight305.44 g/mol
Exact Mass305.22
IUPAC Name8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C(F)\C=C/C1=CC2(CCN(C3CCCCC3)CC2)CO1
InChIInChI=1S/C19H28FNO/c1-2-16(20)8-9-18-14-19(15-22-18)10-12-21(13-11-19)17-6-4-3-5-7-17/h2,8-9,14,17H,3-7,10-13,15H2,1H3/b9-8-,16-2+
InChIKeyDPXMIBSZBSPZFB-VRAHBGQZSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene (CID 89344837) is 8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene is C/C=C(F)\C=C/C1=CC2(CCN(C3CCCCC3)CC2)CO1.
What is the InChIKey of 8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is DPXMIBSZBSPZFB-VRAHBGQZSA-N. The full InChI is InChI=1S/C19H28FNO/c1-2-16(20)8-9-18-14-19(15-22-18)10-12-21(13-11-19)17-6-4-3-5-7-17/h2,8-9,14,17H,3-7,10-13,15H2,1H3/b9-8-,16-2+.
What are the key properties of 8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene?
8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 305.44 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-2-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 89344837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).