14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate

C126H238O16 — CID 102181696

IUPAC14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
SMILESCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C126H238O16/c1-3-5-7-9-11-13-23-39-55-71-87-103-119(127)135-111-95-79-63-47-31-15-17-33-49-65-81-97-113-137-121(129)105-89-73-57-41-25-27-43-59-75-91-107-123(131)139-115-99-83-67-51-35-19-21-37-53-69-85-101-117-141-125(133)109-93-77-61-45-29-30-46-62-78-94-110-126(134)142-118-102-86-70-54-38-22-20-36-52-68-84-100-116-140-124(132)108-92-76-60-44-28-26-42-58-74-90-106-122(130)138-114-98-82-66-50-34-18-16-32-48-64-80-96-112-136-120(128)104-88-72-56-40-24-14-12-10-8-6-4-2/h3-118H2,1-2H3
InChIKeyXVPAHHIKWQTCJZ-UHFFFAOYSA-N
MW2009.27 g/mol
LogP39.50
Rot. Bonds123

About 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate

14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate (PubChem CID 102181696) has the molecular formula C126H238O16 and a molecular weight of 2009.27 g/mol. Its IUPAC name is 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate.

Molecular Properties

Compound Name14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
PubChem CID102181696
Molecular FormulaC126H238O16
Molecular Weight2009.27 g/mol
Exact Mass2007.78
IUPAC Name14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
SMILESCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C126H238O16/c1-3-5-7-9-11-13-23-39-55-71-87-103-119(127)135-111-95-79-63-47-31-15-17-33-49-65-81-97-113-137-121(129)105-89-73-57-41-25-27-43-59-75-91-107-123(131)139-115-99-83-67-51-35-19-21-37-53-69-85-101-117-141-125(133)109-93-77-61-45-29-30-46-62-78-94-110-126(134)142-118-102-86-70-54-38-22-20-36-52-68-84-100-116-140-124(132)108-92-76-60-44-28-26-42-58-74-90-106-122(130)138-114-98-82-66-50-34-18-16-32-48-64-80-96-112-136-120(128)104-88-72-56-40-24-14-12-10-8-6-4-2/h3-118H2,1-2H3
InChIKeyXVPAHHIKWQTCJZ-UHFFFAOYSA-N
XLogP39.50
TPSA210.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds123
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002009.27
LogP ≤ 539.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate with MolForge

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Related Compounds

octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193
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
diheptyl octadecanedioate
CID 87117426
dotriacontyl octadecanoate
CID 175696466

Frequently Asked Questions

What is the IUPAC name of 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate?
The IUPAC name of 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate (CID 102181696) is 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate.
What is the SMILES notation for 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate?
The canonical SMILES for 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate is CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.
What is the InChIKey of 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate?
The InChIKey is XVPAHHIKWQTCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H238O16/c1-3-5-7-9-11-13-23-39-55-71-87-103-119(127)135-111-95-79-63-47-31-15-17-33-49-65-81-97-113-137-121(129)105-89-73-57-41-25-27-43-59-75-91-107-123(131)139-115-99-83-67-51-35-19-21-37-53-69-85-101-117-141-125(133)109-93-77-61-45-29-30-46-62-78-94-110-126(134)142-118-102-86-70-54-38-22-20-36-52-68-84-100-116-140-124(132)108-92-76-60-44-28-26-42-58-74-90-106-122(130)138-114-98-82-66-50-34-18-16-32-48-64-80-96-112-136-120(128)104-88-72-56-40-24-14-12-10-8-6-4-2/h3-118H2,1-2H3.
What are the key properties of 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate?
14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate has a molecular weight of 2009.27 g/mol, XLogP of 39.50, 123 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate is sourced from PubChem (CID 102181696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).