azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol

C15H25NO2 — CID 175067623

IUPACazane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol
SMILESN.OCCCCCCCCOc1ccc2c(c1)C2
InChIInChI=1S/C15H22O2.H3N/c16-9-5-3-1-2-4-6-10-17-15-8-7-13-11-14(13)12-15;/h7-8,12,16H,1-6,9-11H2;1H3
InChIKeyOEZHZZWLACHEDL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.46
Rot. Bonds9

About azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol

azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol (PubChem CID 175067623) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol.

Molecular Properties

Compound Nameazane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol
PubChem CID175067623
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameazane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol
SMILESN.OCCCCCCCCOc1ccc2c(c1)C2
InChIInChI=1S/C15H22O2.H3N/c16-9-5-3-1-2-4-6-10-17-15-8-7-13-11-14(13)12-15;/h7-8,12,16H,1-6,9-11H2;1H3
InChIKeyOEZHZZWLACHEDL-UHFFFAOYSA-N
XLogP3.46
TPSA64.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
11-[[6,12,13,19,20-pentakis(11-hydroxyundecoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxy]undecan-1-ol
CID 10419007
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
4-(5-hydroxypentoxy)benzonitrile
CID 62228630
4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol
CID 107313916
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
7-pyridin-4-yloxyheptan-1-ol
CID 46179485
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488

Frequently Asked Questions

What is the IUPAC name of azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol?
The IUPAC name of azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol (CID 175067623) is azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol.
What is the SMILES notation for azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol?
The canonical SMILES for azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol is N.OCCCCCCCCOc1ccc2c(c1)C2.
What is the InChIKey of azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol?
The InChIKey is OEZHZZWLACHEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2.H3N/c16-9-5-3-1-2-4-6-10-17-15-8-7-13-11-14(13)12-15;/h7-8,12,16H,1-6,9-11H2;1H3.
What are the key properties of azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol?
azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol is sourced from PubChem (CID 175067623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).