CID 175329168

C15H33I2NO — CID 175329168

IUPAC—
SMILESCCCCCCCCCCCCC(O)CC.INI
InChIInChI=1S/C15H32O.HI2N/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2;1-3-2/h15-16H,3-14H2,1-2H3;3H
InChIKeyGMLLVKILBRHSRD-UHFFFAOYSA-N
MW497.24 g/mol
LogP6.34
Rot. Bonds12

About CID 175329168

CID 175329168 (PubChem CID 175329168) has the molecular formula C15H33I2NO and a molecular weight of 497.24 g/mol.

Molecular Properties

Compound NameCID 175329168
PubChem CID175329168
Molecular FormulaC15H33I2NO
Molecular Weight497.24 g/mol
Exact Mass497.07
IUPAC Name—
SMILESCCCCCCCCCCCCC(O)CC.INI
InChIInChI=1S/C15H32O.HI2N/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2;1-3-2/h15-16H,3-14H2,1-2H3;3H
InChIKeyGMLLVKILBRHSRD-UHFFFAOYSA-N
XLogP6.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.24
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

icosan-3-ol
CID 14940768
icosane-3,10-diol
CID 141217833
dodecan-3-ol;propane
CID 159624658
decane-3,7-diol;decan-4-ol;nonan-4-ol
CID 159957701
octan-3-ol;propan-2-ol;silane
CID 174446163
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of CID 175329168?
The IUPAC name of CID 175329168 (CID 175329168) is not available.
What is the SMILES notation for CID 175329168?
The canonical SMILES for CID 175329168 is CCCCCCCCCCCCC(O)CC.INI.
What is the InChIKey of CID 175329168?
The InChIKey is GMLLVKILBRHSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O.HI2N/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2;1-3-2/h15-16H,3-14H2,1-2H3;3H.
What are the key properties of CID 175329168?
CID 175329168 has a molecular weight of 497.24 g/mol, XLogP of 6.34, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175329168 is sourced from PubChem (CID 175329168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).