3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane

C16H26FNO — CID 91011598

IUPAC3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCC(F)=CC=C(C)CC1COC2(CCNCC2)C1
InChIInChI=1S/C16H26FNO/c1-3-15(17)5-4-13(2)10-14-11-16(19-12-14)6-8-18-9-7-16/h4-5,14,18H,3,6-12H2,1-2H3
InChIKeyQHAXTPGZEAMWHO-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.74
Rot. Bonds4

About 3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane

3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 91011598) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID91011598
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCC(F)=CC=C(C)CC1COC2(CCNCC2)C1
InChIInChI=1S/C16H26FNO/c1-3-15(17)5-4-13(2)10-14-11-16(19-12-14)6-8-18-9-7-16/h4-5,14,18H,3,6-12H2,1-2H3
InChIKeyQHAXTPGZEAMWHO-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-(2-methylpropyl)spiro[3a,6-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 69859690
4-[[(3R)-5,5-bis[(9Z,12Z)-octadeca-9,12-dienyl]oxolan-3-yl]methyl]piperidine
CID 155439853
Butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane
CID 171802038
N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]propan-1-amine
CID 103277906
N-[[2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103277908
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2-ethyloxolan-3-yl)methanamine
CID 105734936
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 113797401
8-methyl-3-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-1-oxa-8-azaspiro[4.5]decane
CID 142916182
8-methyl-3-[(3Z,6Z)-nona-3,6,8-trienyl]-1-oxa-8-azaspiro[4.5]decane
CID 142916212
5-(3-Methylbuta-1,3-dien-2-yl)-4-[2-(oxolan-3-yl)prop-2-enyl]-1,2,3,6-tetrahydropyridine
CID 176970068

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane (CID 91011598) is 3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane is CCC(F)=CC=C(C)CC1COC2(CCNCC2)C1.
What is the InChIKey of 3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QHAXTPGZEAMWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-3-15(17)5-4-13(2)10-14-11-16(19-12-14)6-8-18-9-7-16/h4-5,14,18H,3,6-12H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane?
3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 267.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylhepta-2,4-dienyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 91011598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).