4-(oxiran-2-yl)non-1-en-4-ol

C11H20O2 — CID 88764654

IUPAC4-(oxiran-2-yl)non-1-en-4-ol
SMILESC=CCC(O)(CCCCC)C1CO1
InChIInChI=1S/C11H20O2/c1-3-5-6-8-11(12,7-4-2)10-9-13-10/h4,10,12H,2-3,5-9H2,1H3
InChIKeyXITBTQRUAGHRFX-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds7

About 4-(oxiran-2-yl)non-1-en-4-ol

4-(oxiran-2-yl)non-1-en-4-ol (PubChem CID 88764654) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(oxiran-2-yl)non-1-en-4-ol.

Molecular Properties

Compound Name4-(oxiran-2-yl)non-1-en-4-ol
PubChem CID88764654
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-(oxiran-2-yl)non-1-en-4-ol
SMILESC=CCC(O)(CCCCC)C1CO1
InChIInChI=1S/C11H20O2/c1-3-5-6-8-11(12,7-4-2)10-9-13-10/h4,10,12H,2-3,5-9H2,1H3
InChIKeyXITBTQRUAGHRFX-UHFFFAOYSA-N
XLogP2.27
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

non-1-ene-4,4-diol
CID 87592774
2-pentyl-2-prop-2-enylpropane-1,3-diol
CID 87313857
2-[9-[9-(oxiran-2-yl)nonadecan-9-yloxy]nonadecan-9-yl]oxirane
CID 118162349
7-hydroxy-7-prop-2-enyldodecan-6-one
CID 88832433
3-trimethylsilyloct-1-en-3-ol
CID 13249706
2,2-bis(prop-2-enyl)heptanenitrile
CID 87904800
4-chloro-4-prop-2-enylhexadec-1-ene
CID 88822813
azane;4,4-dimethylhenicos-1-ene;hydrochloride
CID 174854097
4-prop-2-enylpentadec-1-en-4-amine;hydrobromide
CID 175561097
3-trimethylsilyldodec-1-en-3-ol
CID 12519745
docosane-10,10-diol
CID 20528880
4-methyl-4-methylselanyldec-1-ene
CID 13321274

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-yl)non-1-en-4-ol?
The IUPAC name of 4-(oxiran-2-yl)non-1-en-4-ol (CID 88764654) is 4-(oxiran-2-yl)non-1-en-4-ol.
What is the SMILES notation for 4-(oxiran-2-yl)non-1-en-4-ol?
The canonical SMILES for 4-(oxiran-2-yl)non-1-en-4-ol is C=CCC(O)(CCCCC)C1CO1.
What is the InChIKey of 4-(oxiran-2-yl)non-1-en-4-ol?
The InChIKey is XITBTQRUAGHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-8-11(12,7-4-2)10-9-13-10/h4,10,12H,2-3,5-9H2,1H3.
What are the key properties of 4-(oxiran-2-yl)non-1-en-4-ol?
4-(oxiran-2-yl)non-1-en-4-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)non-1-en-4-ol is sourced from PubChem (CID 88764654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).