CID 59087828

C14H29BN3O3P — CID 59087828

IUPAC—
SMILES[B]P(C)O[C@H](CCCCCCC)CCOCC(CO)N=[N+]=[N-]
InChIInChI=1S/C14H29BN3O3P/c1-3-4-5-6-7-8-14(21-22(2)15)9-10-20-12-13(11-19)17-18-16/h13-14,19H,3-12H2,1-2H3/t13?,14-,22?/m1/s1
InChIKeyUNPDBXLCNJAGHS-BJCXIENYSA-N
MW329.19 g/mol
LogP3.92
Rot. Bonds15

About CID 59087828

CID 59087828 (PubChem CID 59087828) has the molecular formula C14H29BN3O3P and a molecular weight of 329.19 g/mol.

Molecular Properties

Compound NameCID 59087828
PubChem CID59087828
Molecular FormulaC14H29BN3O3P
Molecular Weight329.19 g/mol
Exact Mass329.20
IUPAC Name—
SMILES[B]P(C)O[C@H](CCCCCCC)CCOCC(CO)N=[N+]=[N-]
InChIInChI=1S/C14H29BN3O3P/c1-3-4-5-6-7-8-14(21-22(2)15)9-10-20-12-13(11-19)17-18-16/h13-14,19H,3-12H2,1-2H3/t13?,14-,22?/m1/s1
InChIKeyUNPDBXLCNJAGHS-BJCXIENYSA-N
XLogP3.92
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-diazidopropoxy)dodecane
CID 167465036
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
tripentadecan-6-yl phosphite
CID 87207088
1-[3-[2-aminoethoxy(prop-2-enoxy)phosphoryl]oxy-2-azidopropoxy]decan-3-yl dodecanoate
CID 20747045
2-(1-hydroxyhexadecan-2-yloxy)hexadecan-1-ol
CID 87617738
ditetracosan-12-yl hydrogen phosphite
CID 23465328
[(3R)-1-[(2R)-3-[2-aminoethoxy(prop-2-enoxy)phosphoryl]oxy-2-azidopropoxy]decan-3-yl] dodecanoate;[(3R)-1-[(2R)-2-azido-3-[2-[2-[[(2R)-2-azido-3-[(3R)-3-dodecanoyloxydecoxy]propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylamino]ethoxy-prop-2-enoxyphosphoryl]oxypropoxy]decan-3-yl] dodecanoate
CID 162140751
2-[2-(1-hydroxydecan-2-yloxy)ethoxy]decan-1-ol
CID 10022312
2-tetradecoxydecan-1-ol
CID 155667265
1-(2-dodecoxydecoxy)dodecane
CID 175347971
2-dodecoxytridecan-1-ol
CID 23171962
2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
CID 59203503

Frequently Asked Questions

What is the IUPAC name of CID 59087828?
The IUPAC name of CID 59087828 (CID 59087828) is not available.
What is the SMILES notation for CID 59087828?
The canonical SMILES for CID 59087828 is [B]P(C)O[C@H](CCCCCCC)CCOCC(CO)N=[N+]=[N-].
What is the InChIKey of CID 59087828?
The InChIKey is UNPDBXLCNJAGHS-BJCXIENYSA-N. The full InChI is InChI=1S/C14H29BN3O3P/c1-3-4-5-6-7-8-14(21-22(2)15)9-10-20-12-13(11-19)17-18-16/h13-14,19H,3-12H2,1-2H3/t13?,14-,22?/m1/s1.
What are the key properties of CID 59087828?
CID 59087828 has a molecular weight of 329.19 g/mol, XLogP of 3.92, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59087828 is sourced from PubChem (CID 59087828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).