4-hydroxydec-2-enenitrile

C10H17NO — CID 73187760

IUPAC4-hydroxydec-2-enenitrile
SMILESCCCCCCC(O)C=CC#N
InChIInChI=1S/C10H17NO/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8,10,12H,2-5,7H2,1H3
InChIKeyXFCCNLBHUAAHQY-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.40
Rot. Bonds6

About 4-hydroxydec-2-enenitrile

4-hydroxydec-2-enenitrile (PubChem CID 73187760) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-hydroxydec-2-enenitrile.

Molecular Properties

Compound Name4-hydroxydec-2-enenitrile
PubChem CID73187760
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-hydroxydec-2-enenitrile
SMILESCCCCCCC(O)C=CC#N
InChIInChI=1S/C10H17NO/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8,10,12H,2-5,7H2,1H3
InChIKeyXFCCNLBHUAAHQY-UHFFFAOYSA-N
XLogP2.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxyoct-2-enenitrile
CID 71329578
(Z)-dec-3-en-1-yn-5-ol
CID 146163105
(Z)-undec-2-en-4-ol
CID 14320443
octadec-3-en-5-ol
CID 144649733
henicos-7-en-6-ol
CID 91409967
(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(E)-1-chlorooct-1-en-3-ol
CID 14723484
(3S)-1-iodooct-1-en-3-ol
CID 54007858
(3R)-1-iodooct-1-en-3-ol
CID 54007857
icosa-7,15-diene-6,9-diol
CID 57175111
4-hydroxynonadec-2-enal
CID 3025773
4-hydroxyoctadec-2-enal
CID 3025772

Frequently Asked Questions

What is the IUPAC name of 4-hydroxydec-2-enenitrile?
The IUPAC name of 4-hydroxydec-2-enenitrile (CID 73187760) is 4-hydroxydec-2-enenitrile.
What is the SMILES notation for 4-hydroxydec-2-enenitrile?
The canonical SMILES for 4-hydroxydec-2-enenitrile is CCCCCCC(O)C=CC#N.
What is the InChIKey of 4-hydroxydec-2-enenitrile?
The InChIKey is XFCCNLBHUAAHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8,10,12H,2-5,7H2,1H3.
What are the key properties of 4-hydroxydec-2-enenitrile?
4-hydroxydec-2-enenitrile has a molecular weight of 167.25 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxydec-2-enenitrile is sourced from PubChem (CID 73187760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).