(Z,11S)-11-hydroxytetradec-5-enenitrile

C14H25NO — CID 11413421

IUPAC(Z,11S)-11-hydroxytetradec-5-enenitrile
SMILESCCC[C@H](O)CCCC/C=C\CCCC#N
InChIInChI=1S/C14H25NO/c1-2-11-14(16)12-9-7-5-3-4-6-8-10-13-15/h3-4,14,16H,2,5-12H2,1H3/b4-3-/t14-/m0/s1
InChIKeyZEBIMHLURXKIEC-NQHOJNORSA-N
MW223.36 g/mol
LogP3.96
Rot. Bonds10

About (Z,11S)-11-hydroxytetradec-5-enenitrile

(Z,11S)-11-hydroxytetradec-5-enenitrile (PubChem CID 11413421) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (Z,11S)-11-hydroxytetradec-5-enenitrile.

Molecular Properties

Compound Name(Z,11S)-11-hydroxytetradec-5-enenitrile
PubChem CID11413421
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(Z,11S)-11-hydroxytetradec-5-enenitrile
SMILESCCC[C@H](O)CCCC/C=C\CCCC#N
InChIInChI=1S/C14H25NO/c1-2-11-14(16)12-9-7-5-3-4-6-8-10-13-15/h3-4,14,16H,2,5-12H2,1H3/b4-3-/t14-/m0/s1
InChIKeyZEBIMHLURXKIEC-NQHOJNORSA-N
XLogP3.96
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.96
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'}

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Related Compounds

octacos-21-en-10-ol
CID 163011476
(E)-hentetracont-36-en-5-ol
CID 87492179
henicosa-6,15-dien-10-ol
CID 141379717
(Z)-tetracos-6-en-10-ol
CID 168947717
4-hydroxydodecanenitrile
CID 10488163
octadec-6-enenitrile
CID 54098739
(E)-dodec-8-enenitrile
CID 101282237
(Z)-15-hydroxyoctadec-6-enoic acid
CID 87225177
(E)-13-hydroxyhexadec-6-enoic acid
CID 87224864
(E)-dec-8-en-4-ol
CID 19937281
dec-8-en-4-ol
CID 56606618
(E)-dec-4-enenitrile
CID 88850530

Frequently Asked Questions

What is the IUPAC name of (Z,11S)-11-hydroxytetradec-5-enenitrile?
The IUPAC name of (Z,11S)-11-hydroxytetradec-5-enenitrile (CID 11413421) is (Z,11S)-11-hydroxytetradec-5-enenitrile.
What is the SMILES notation for (Z,11S)-11-hydroxytetradec-5-enenitrile?
The canonical SMILES for (Z,11S)-11-hydroxytetradec-5-enenitrile is CCC[C@H](O)CCCC/C=C\CCCC#N.
What is the InChIKey of (Z,11S)-11-hydroxytetradec-5-enenitrile?
The InChIKey is ZEBIMHLURXKIEC-NQHOJNORSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-11-14(16)12-9-7-5-3-4-6-8-10-13-15/h3-4,14,16H,2,5-12H2,1H3/b4-3-/t14-/m0/s1.
What are the key properties of (Z,11S)-11-hydroxytetradec-5-enenitrile?
(Z,11S)-11-hydroxytetradec-5-enenitrile has a molecular weight of 223.36 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,11S)-11-hydroxytetradec-5-enenitrile is sourced from PubChem (CID 11413421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).