5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one

C17H30O3 — CID 87574360

IUPAC5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one
SMILESC=C(O)CC(CCCC)C(=O)C(CCCC)CC(=C)O
InChIInChI=1S/C17H30O3/c1-5-7-9-15(11-13(3)18)17(20)16(10-8-6-2)12-14(4)19/h15-16,18-19H,3-12H2,1-2H3
InChIKeyITLMEBCSDPXOJN-UHFFFAOYSA-N
MW282.42 g/mol
LogP5.09
Rot. Bonds12

About 5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one

5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one (PubChem CID 87574360) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one.

Molecular Properties

Compound Name5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one
PubChem CID87574360
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one
SMILESC=C(O)CC(CCCC)C(=O)C(CCCC)CC(=C)O
InChIInChI=1S/C17H30O3/c1-5-7-9-15(11-13(3)18)17(20)16(10-8-6-2)12-14(4)19/h15-16,18-19H,3-12H2,1-2H3
InChIKeyITLMEBCSDPXOJN-UHFFFAOYSA-N
XLogP5.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.42
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one?
The IUPAC name of 5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one (CID 87574360) is 5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one.
What is the SMILES notation for 5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one?
The canonical SMILES for 5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one is C=C(O)CC(CCCC)C(=O)C(CCCC)CC(=C)O.
What is the InChIKey of 5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one?
The InChIKey is ITLMEBCSDPXOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-5-7-9-15(11-13(3)18)17(20)16(10-8-6-2)12-14(4)19/h15-16,18-19H,3-12H2,1-2H3.
What are the key properties of 5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one?
5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one has a molecular weight of 282.42 g/mol, XLogP of 5.09, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(2-hydroxyprop-2-enyl)undecan-6-one is sourced from PubChem (CID 87574360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).