11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol

C178H358O — CID 175133845

IUPAC11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol
SMILESCCCCCCCCCCC(O)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C178H358O/c1-18-35-52-69-86-103-120-137-154-171(155-138-121-104-87-70-53-36-19-2,156-139-122-105-88-71-54-37-20-3)172(157-140-123-106-89-72-55-38-21-4,158-141-124-107-90-73-56-39-22-5)173(159-142-125-108-91-74-57-40-23-6,160-143-126-109-92-75-58-41-24-7)174(161-144-127-110-93-76-59-42-25-8,162-145-128-111-94-77-60-43-26-9)175(163-146-129-112-95-78-61-44-27-10,164-147-130-113-96-79-62-45-28-11)176(165-148-131-114-97-80-63-46-29-12,166-149-132-115-98-81-64-47-30-13)177(167-150-133-116-99-82-65-48-31-14,168-151-134-117-100-83-66-49-32-15)178(179,169-152-135-118-101-84-67-50-33-16)170-153-136-119-102-85-68-51-34-17/h179H,18-170H2,1-17H3
InChIKeyUDGHOGQBMYXJMG-UHFFFAOYSA-N
MW2514.82 g/mol
LogP67.65
Rot. Bonds160

About 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol

11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol (PubChem CID 175133845) has the molecular formula C178H358O and a molecular weight of 2514.82 g/mol. Its IUPAC name is 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol.

Molecular Properties

Compound Name11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol
PubChem CID175133845
Molecular FormulaC178H358O
Molecular Weight2514.82 g/mol
Exact Mass2512.80
IUPAC Name11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol
SMILESCCCCCCCCCCC(O)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C178H358O/c1-18-35-52-69-86-103-120-137-154-171(155-138-121-104-87-70-53-36-19-2,156-139-122-105-88-71-54-37-20-3)172(157-140-123-106-89-72-55-38-21-4,158-141-124-107-90-73-56-39-22-5)173(159-142-125-108-91-74-57-40-23-6,160-143-126-109-92-75-58-41-24-7)174(161-144-127-110-93-76-59-42-25-8,162-145-128-111-94-77-60-43-26-9)175(163-146-129-112-95-78-61-44-27-10,164-147-130-113-96-79-62-45-28-11)176(165-148-131-114-97-80-63-46-29-12,166-149-132-115-98-81-64-47-30-13)177(167-150-133-116-99-82-65-48-31-14,168-151-134-117-100-83-66-49-32-15)178(179,169-152-135-118-101-84-67-50-33-16)170-153-136-119-102-85-68-51-34-17/h179H,18-170H2,1-17H3
InChIKeyUDGHOGQBMYXJMG-UHFFFAOYSA-N
XLogP67.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds160
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002514.82
LogP ≤ 567.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol with MolForge

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Related Compounds

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CID 90777145
2,2,3,3,4,4-hexadodecyloctadecanoic acid
CID 90043228
11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane
CID 141086916
15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane
CID 91221048
2,2-dibutylheptane-1,1,1-triol
CID 19424783
azane;5,6-dibutylundecane-5,6-diol;hydrate
CID 175455322
ethyl 2,2,7,7,8,8,9,9-octaheptylhexadecanoate
CID 18373114
heptyl 2,2,3,3,4,4,5-heptaheptyl-5-hexyldodecanoate
CID 88639264
9-amino-10-hexyl-10-octyloctadecan-9-ol
CID 141310311
triacontane-1,1,1-triol
CID 87376487
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168

Frequently Asked Questions

What is the IUPAC name of 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol?
The IUPAC name of 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol (CID 175133845) is 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol.
What is the SMILES notation for 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol?
The canonical SMILES for 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol is CCCCCCCCCCC(O)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol?
The InChIKey is UDGHOGQBMYXJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C178H358O/c1-18-35-52-69-86-103-120-137-154-171(155-138-121-104-87-70-53-36-19-2,156-139-122-105-88-71-54-37-20-3)172(157-140-123-106-89-72-55-38-21-4,158-141-124-107-90-73-56-39-22-5)173(159-142-125-108-91-74-57-40-23-6,160-143-126-109-92-75-58-41-24-7)174(161-144-127-110-93-76-59-42-25-8,162-145-128-111-94-77-60-43-26-9)175(163-146-129-112-95-78-61-44-27-10,164-147-130-113-96-79-62-45-28-11)176(165-148-131-114-97-80-63-46-29-12,166-149-132-115-98-81-64-47-30-13)177(167-150-133-116-99-82-65-48-31-14,168-151-134-117-100-83-66-49-32-15)178(179,169-152-135-118-101-84-67-50-33-16)170-153-136-119-102-85-68-51-34-17/h179H,18-170H2,1-17H3.
What are the key properties of 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol?
11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol has a molecular weight of 2514.82 g/mol, XLogP of 67.65, 160 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol is sourced from PubChem (CID 175133845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).