CID 175262283

C18H37BNO4 — CID 175262283

IUPAC—
SMILESCCCCCCC(O)C/C=C\CCCCCCCC(N)=O.O[B]O
InChIInChI=1S/C18H35NO2.BH2O2/c1-2-3-4-11-14-17(20)15-12-9-7-5-6-8-10-13-16-18(19)21;2-1-3/h9,12,17,20H,2-8,10-11,13-16H2,1H3,(H2,19,21);2-3H/b12-9-;
InChIKeyICLFXKNWPAGOPU-MWMYENNMSA-N
MW342.31 g/mol
LogP2.99
Rot. Bonds15

About CID 175262283

CID 175262283 (PubChem CID 175262283) has the molecular formula C18H37BNO4 and a molecular weight of 342.31 g/mol.

Molecular Properties

Compound NameCID 175262283
PubChem CID175262283
Molecular FormulaC18H37BNO4
Molecular Weight342.31 g/mol
Exact Mass342.28
IUPAC Name—
SMILESCCCCCCC(O)C/C=C\CCCCCCCC(N)=O.O[B]O
InChIInChI=1S/C18H35NO2.BH2O2/c1-2-3-4-11-14-17(20)15-12-9-7-5-6-8-10-13-16-18(19)21;2-1-3/h9,12,17,20H,2-8,10-11,13-16H2,1H3,(H2,19,21);2-3H/b12-9-;
InChIKeyICLFXKNWPAGOPU-MWMYENNMSA-N
XLogP2.99
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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12-hydroxyhenicos-14-enoic acid
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(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(E,10S)-henicos-7-en-10-ol
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(Z)-octadec-10-en-8-ol
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(Z)-pentadec-8-en-6-ol
CID 10398809
CID 131874957
CID 131874957
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
(Z,12R)-12-hydroxy-N-[(Z,12R)-12-hydroxyoctadec-9-enoyl]octadec-9-enamide
CID 87119921
ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 6437405

Frequently Asked Questions

What is the IUPAC name of CID 175262283?
The IUPAC name of CID 175262283 (CID 175262283) is not available.
What is the SMILES notation for CID 175262283?
The canonical SMILES for CID 175262283 is CCCCCCC(O)C/C=C\CCCCCCCC(N)=O.O[B]O.
What is the InChIKey of CID 175262283?
The InChIKey is ICLFXKNWPAGOPU-MWMYENNMSA-N. The full InChI is InChI=1S/C18H35NO2.BH2O2/c1-2-3-4-11-14-17(20)15-12-9-7-5-6-8-10-13-16-18(19)21;2-1-3/h9,12,17,20H,2-8,10-11,13-16H2,1H3,(H2,19,21);2-3H/b12-9-;.
What are the key properties of CID 175262283?
CID 175262283 has a molecular weight of 342.31 g/mol, XLogP of 2.99, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175262283 is sourced from PubChem (CID 175262283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).