CID 87348083

C30H60MgO2 — CID 87348083

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC.[Mg]
InChIInChI=1S/C30H60O2.Mg/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2;/h3-29H2,1-2H3;
InChIKeyQXYCYSAGHGKNHM-UHFFFAOYSA-N
MW477.11 g/mol
LogP10.33
Rot. Bonds27

About CID 87348083

CID 87348083 (PubChem CID 87348083) has the molecular formula C30H60MgO2 and a molecular weight of 477.11 g/mol.

Molecular Properties

Compound NameCID 87348083
PubChem CID87348083
Molecular FormulaC30H60MgO2
Molecular Weight477.11 g/mol
Exact Mass476.44
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC.[Mg]
InChIInChI=1S/C30H60O2.Mg/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2;/h3-29H2,1-2H3;
InChIKeyQXYCYSAGHGKNHM-UHFFFAOYSA-N
XLogP10.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.11
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octacosyl octacosanoate
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dodecyl henicosanoate
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icosyl tricosanoate
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nonadecyl tridecanoate
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1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401
tetradecyl hexadecanoate;tetradecyl octadecanoate
CID 175830855
nonyl heptanoate
CID 53437836
hexadecyl dotriacontanoate
CID 71587965
dioctyl hexanedioate
CID 161382548
14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181696
diheptyl octadecanedioate
CID 87117426

Frequently Asked Questions

What is the IUPAC name of CID 87348083?
The IUPAC name of CID 87348083 (CID 87348083) is not available.
What is the SMILES notation for CID 87348083?
The canonical SMILES for CID 87348083 is CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC.[Mg].
What is the InChIKey of CID 87348083?
The InChIKey is QXYCYSAGHGKNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O2.Mg/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2;/h3-29H2,1-2H3;.
What are the key properties of CID 87348083?
CID 87348083 has a molecular weight of 477.11 g/mol, XLogP of 10.33, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87348083 is sourced from PubChem (CID 87348083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).