15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane

C156H314 — CID 91221048

IUPAC15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCC)(CCCCCCCCCCCCCC)C(CCCCCCCCCCC)(CCCCCCCCCCCC)C(CCCCCCCCC)(CCCCCCCCCC)C(CCCCCCC)(CCCCCCCC)C(CCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C156H314/c1-14-27-40-53-64-73-80-84-86-89-93-99-107-117-129-142-152(140-127-115-105-97-91-87-82-75-66-55-42-29-16-3,141-128-116-106-98-92-88-85-81-74-65-54-41-28-15-2)154(145-132-119-109-101-90-77-68-57-44-31-18-5,146-133-120-110-102-94-83-76-67-56-43-30-17-4)156(149-136-123-111-96-71-60-47-34-21-8,150-137-124-112-100-79-70-59-46-33-20-7)155(147-134-121-104-62-49-36-23-10,148-135-122-108-72-61-48-35-22-9)153(143-130-114-51-38-25-12,144-131-118-63-50-37-24-11)151(138-125-52-39-26-13)139-126-113-103-95-78-69-58-45-32-19-6/h151H,14-150H2,1-13H3
InChIKeySICISZNDYKFHSC-UHFFFAOYSA-N
MW2190.23 g/mol
LogP60.24
Rot. Bonds142

About 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane

15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane (PubChem CID 91221048) has the molecular formula C156H314 and a molecular weight of 2190.23 g/mol. Its IUPAC name is 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane.

Molecular Properties

Compound Name15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane
PubChem CID91221048
Molecular FormulaC156H314
Molecular Weight2190.23 g/mol
Exact Mass2188.46
IUPAC Name15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCC)(CCCCCCCCCCCCCC)C(CCCCCCCCCCC)(CCCCCCCCCCCC)C(CCCCCCCCC)(CCCCCCCCCC)C(CCCCCCC)(CCCCCCCC)C(CCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C156H314/c1-14-27-40-53-64-73-80-84-86-89-93-99-107-117-129-142-152(140-127-115-105-97-91-87-82-75-66-55-42-29-16-3,141-128-116-106-98-92-88-85-81-74-65-54-41-28-15-2)154(145-132-119-109-101-90-77-68-57-44-31-18-5,146-133-120-110-102-94-83-76-67-56-43-30-17-4)156(149-136-123-111-96-71-60-47-34-21-8,150-137-124-112-100-79-70-59-46-33-20-7)155(147-134-121-104-62-49-36-23-10,148-135-122-108-72-61-48-35-22-9)153(143-130-114-51-38-25-12,144-131-118-63-50-37-24-11)151(138-125-52-39-26-13)139-126-113-103-95-78-69-58-45-32-19-6/h151H,14-150H2,1-13H3
InChIKeySICISZNDYKFHSC-UHFFFAOYSA-N
XLogP60.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds142
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002190.23
LogP ≤ 560.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane with MolForge

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Related Compounds

13-decyl-14-dodecyl-12-heptyl-11-hexyl-13-nonyl-12-octyl-14-undecylheptacosane
CID 141113065
13-decyl-14-dodecyl-12-heptyl-13-nonyl-12-octyl-14-undecylheptacosane
CID 90777145
10-heptyl-9-hexyl-11-nonyl-10-octyl-11-(2,4,4-trimethylpentan-2-yl)henicosane
CID 141090790
9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane
CID 141081090
11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol
CID 175133845
13-decyl-11-methyl-12-nonyl-12-octyl-13-undecylpentacosane
CID 141153698
20-heptadecyl-19-hexadecyl-20-octadecylnonatriacontane
CID 91224963
9-butyl-10-pentyloctadecan-9-ol
CID 90871150
11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane
CID 141086916
11-(2-methylheptan-2-yl)docosane
CID 57252514
5,5-dibutyl-6-propyltetradecane
CID 151501472
7,8-dihexylicosan-7-ylphosphane
CID 18442252

Frequently Asked Questions

What is the IUPAC name of 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane?
The IUPAC name of 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane (CID 91221048) is 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane.
What is the SMILES notation for 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane?
The canonical SMILES for 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane is CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCC)(CCCCCCCCCCCCCC)C(CCCCCCCCCCC)(CCCCCCCCCCCC)C(CCCCCCCCC)(CCCCCCCCCC)C(CCCCCCC)(CCCCCCCC)C(CCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane?
The InChIKey is SICISZNDYKFHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H314/c1-14-27-40-53-64-73-80-84-86-89-93-99-107-117-129-142-152(140-127-115-105-97-91-87-82-75-66-55-42-29-16-3,141-128-116-106-98-92-88-85-81-74-65-54-41-28-15-2)154(145-132-119-109-101-90-77-68-57-44-31-18-5,146-133-120-110-102-94-83-76-67-56-43-30-17-4)156(149-136-123-111-96-71-60-47-34-21-8,150-137-124-112-100-79-70-59-46-33-20-7)155(147-134-121-104-62-49-36-23-10,148-135-122-108-72-61-48-35-22-9)153(143-130-114-51-38-25-12,144-131-118-63-50-37-24-11)151(138-125-52-39-26-13)139-126-113-103-95-78-69-58-45-32-19-6/h151H,14-150H2,1-13H3.
What are the key properties of 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane?
15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane has a molecular weight of 2190.23 g/mol, XLogP of 60.24, 142 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane is sourced from PubChem (CID 91221048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).