(E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one

C14H18O2 — CID 121490004

IUPAC(E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one
SMILESC#CC#C/C=C/[C@H](O)CCCCCC(C)=O
InChIInChI=1S/C14H18O2/c1-3-4-5-8-11-14(16)12-9-6-7-10-13(2)15/h1,8,11,14,16H,6-7,9-10,12H2,2H3/b11-8+/t14-/m0/s1
InChIKeyVOJIMVBNCSNSBJ-ZHZWZMEUSA-N
MW218.30 g/mol
LogP2.08
Rot. Bonds7

About (E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one

(E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one (PubChem CID 121490004) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one.

Molecular Properties

Compound Name(E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one
PubChem CID121490004
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one
SMILESC#CC#C/C=C/[C@H](O)CCCCCC(C)=O
InChIInChI=1S/C14H18O2/c1-3-4-5-8-11-14(16)12-9-6-7-10-13(2)15/h1,8,11,14,16H,6-7,9-10,12H2,2H3/b11-8+/t14-/m0/s1
InChIKeyVOJIMVBNCSNSBJ-ZHZWZMEUSA-N
XLogP2.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one?
The IUPAC name of (E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one (CID 121490004) is (E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one.
What is the SMILES notation for (E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one?
The canonical SMILES for (E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one is C#CC#C/C=C/[C@H](O)CCCCCC(C)=O.
What is the InChIKey of (E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one?
The InChIKey is VOJIMVBNCSNSBJ-ZHZWZMEUSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-4-5-8-11-14(16)12-9-6-7-10-13(2)15/h1,8,11,14,16H,6-7,9-10,12H2,2H3/b11-8+/t14-/m0/s1.
What are the key properties of (E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one?
(E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one is sourced from PubChem (CID 121490004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).