(9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol

C14H25NO2 — CID 166061941

IUPAC(9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol
SMILESC=CCCCCC1CCCC12NC(CO)CO2
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-7-12-8-6-9-14(12)15-13(10-16)11-17-14/h2,12-13,15-16H,1,3-11H2
InChIKeyORVQEZZBLMZAIF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds6

About (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol

(9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol (PubChem CID 166061941) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol.

Molecular Properties

Compound Name(9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol
PubChem CID166061941
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol
SMILESC=CCCCCC1CCCC12NC(CO)CO2
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-7-12-8-6-9-14(12)15-13(10-16)11-17-14/h2,12-13,15-16H,1,3-11H2
InChIKeyORVQEZZBLMZAIF-UHFFFAOYSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol
CID 606637
hex-5-enylcyclopentane
CID 20565123
5,8,14,17,23,26,32,35-octakis(oct-7-enyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 91154781
1-ethenyl-2-hexylcyclopentan-1-ol
CID 118116896
2-non-8-enyloxirane
CID 86075301
2-oct-7-enyloxirane
CID 160591597
[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol
CID 97178926
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
2-hept-6-enylpiperidine
CID 107010178
5-undec-10-enyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173214279
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
2,6-bis(pent-4-enyl)piperidine
CID 592267

Frequently Asked Questions

What is the IUPAC name of (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol?
The IUPAC name of (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol (CID 166061941) is (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol.
What is the SMILES notation for (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol?
The canonical SMILES for (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol is C=CCCCCC1CCCC12NC(CO)CO2.
What is the InChIKey of (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol?
The InChIKey is ORVQEZZBLMZAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-4-5-7-12-8-6-9-14(12)15-13(10-16)11-17-14/h2,12-13,15-16H,1,3-11H2.
What are the key properties of (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol?
(9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol has a molecular weight of 239.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol is sourced from PubChem (CID 166061941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).