azane;12-prop-2-enoxydodecan-3-ol

C15H33NO2 — CID 175787809

IUPACazane;12-prop-2-enoxydodecan-3-ol
SMILESC=CCOCCCCCCCCCC(O)CC.N
InChIInChI=1S/C15H30O2.H3N/c1-3-13-17-14-11-9-7-5-6-8-10-12-15(16)4-2;/h3,15-16H,1,4-14H2,2H3;1H3
InChIKeyPUJXEKOBKURHSO-UHFFFAOYSA-N
MW259.43 g/mol
LogP4.24
Rot. Bonds13

About azane;12-prop-2-enoxydodecan-3-ol

azane;12-prop-2-enoxydodecan-3-ol (PubChem CID 175787809) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is azane;12-prop-2-enoxydodecan-3-ol.

Molecular Properties

Compound Nameazane;12-prop-2-enoxydodecan-3-ol
PubChem CID175787809
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Nameazane;12-prop-2-enoxydodecan-3-ol
SMILESC=CCOCCCCCCCCCC(O)CC.N
InChIInChI=1S/C15H30O2.H3N/c1-3-13-17-14-11-9-7-5-6-8-10-12-15(16)4-2;/h3,15-16H,1,4-14H2,2H3;1H3
InChIKeyPUJXEKOBKURHSO-UHFFFAOYSA-N
XLogP4.24
TPSA64.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 54.24
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'}

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Related Compounds

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CID 90689628
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CID 106802733
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CID 11218120
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CID 14940768
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
acetic acid;18-methyl-1-(3-prop-2-enoxypropylamino)nonadecan-2-ol
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CID 22141483

Frequently Asked Questions

What is the IUPAC name of azane;12-prop-2-enoxydodecan-3-ol?
The IUPAC name of azane;12-prop-2-enoxydodecan-3-ol (CID 175787809) is azane;12-prop-2-enoxydodecan-3-ol.
What is the SMILES notation for azane;12-prop-2-enoxydodecan-3-ol?
The canonical SMILES for azane;12-prop-2-enoxydodecan-3-ol is C=CCOCCCCCCCCCC(O)CC.N.
What is the InChIKey of azane;12-prop-2-enoxydodecan-3-ol?
The InChIKey is PUJXEKOBKURHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2.H3N/c1-3-13-17-14-11-9-7-5-6-8-10-12-15(16)4-2;/h3,15-16H,1,4-14H2,2H3;1H3.
What are the key properties of azane;12-prop-2-enoxydodecan-3-ol?
azane;12-prop-2-enoxydodecan-3-ol has a molecular weight of 259.43 g/mol, XLogP of 4.24, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;12-prop-2-enoxydodecan-3-ol is sourced from PubChem (CID 175787809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).