(12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene

C192H353Br3 — CID 10796678

About (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene

(12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene (PubChem CID 10796678) has the molecular formula C192H353Br3 and a molecular weight of 2901.65 g/mol. Its IUPAC name is (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene.

Molecular Properties

• Compound Name: (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene
• PubChem CID: 10796678
• Molecular Formula: C192H353Br3
• Molecular Weight: 2901.65 g/mol
• Exact Mass: 2896.52
• IUPAC Name: (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene
• SMILES: BrCCCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C(/CBr)CCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCCCBr
• InChI: InChI=1S/C192H353Br3/c193-189-185-181-177-173-169-165-161-157-153-149-145-141-137-133-129-125-121-117-113-109-105-101-97-93-89-85-81-77-73-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-5-2-1-3-7-11-15-19-23-27-31-35-39-43-47-51-55-59-63-67-71-75-79-83-87-91-95-99-103-107-111-115-119-123-127-131-135-139-143-147-151-155-159-163-167-171-175-179-183-187-192(191-195)188-184-180-176-172-168-164-160-156-152-148-144-140-136-132-128-124-120-116-112-108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4-6-10-14-18-22-26-30-34-38-42-46-50-54-58-62-66-70-74-78-82-86-90-94-98-102-106-110-114-118-122-126-130-134-138-142-146-150-154-158-162-166-170-174-178-182-186-190-194/h1-2,4,8,43,45-47,49-50,52,56,91,93-95,97-98,100,104,139,141-143,145-146,148,152,187H,3,5-7,9-42,44,48,51,53-55,57-90,92,96,99,101-103,105-138,140,144,147,149-151,153-186,188-191H2/b2-1+,8-4+,47-43+,49-45+,50-46+,56-52+,95-91+,97-93+,98-94+,104-100+,143-139+,145-141+,146-142+,152-148+,192-187+
• InChIKey: HTIWXVAYJUOAGB-CLMSLVDGSA-N
• XLogP: 72.91
• TPSA: 0.00 Ų
• Rotatable Bonds: 176
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2901.65
LogP ≤ 5	72.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene?

The IUPAC name of (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene (CID 10796678) is (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene.

What is the SMILES notation for (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene?

The canonical SMILES for (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene is BrCCCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C(/CBr)CCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCCCBr.

What is the InChIKey of (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene?

The InChIKey is HTIWXVAYJUOAGB-CLMSLVDGSA-N. The full InChI is InChI=1S/C192H353Br3/c193-189-185-181-177-173-169-165-161-157-153-149-145-141-137-133-129-125-121-117-113-109-105-101-97-93-89-85-81-77-73-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-5-2-1-3-7-11-15-19-23-27-31-35-39-43-47-51-55-59-63-67-71-75-79-83-87-91-95-99-103-107-111-115-119-123-127-131-135-139-143-147-151-155-159-163-167-171-175-179-183-187-192(191-195)188-184-180-176-172-168-164-160-156-152-148-144-140-136-132-128-124-120-116-112-108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4-6-10-14-18-22-26-30-34-38-42-46-50-54-58-62-66-70-74-78-82-86-90-94-98-102-106-110-114-118-122-126-130-134-138-142-146-150-154-158-162-166-170-174-178-182-186-190-194/h1-2,4,8,43,45-47,49-50,52,56,91,93-95,97-98,100,104,139,141-143,145-146,148,152,187H,3,5-7,9-42,44,48,51,53-55,57-90,92,96,99,101-103,105-138,140,144,147,149-151,153-186,188-191H2/b2-1+,8-4+,47-43+,49-45+,50-46+,56-52+,95-91+,97-93+,98-94+,104-100+,143-139+,145-141+,146-142+,152-148+,192-187+.

What are the key properties of (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene?

(12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene has a molecular weight of 2901.65 g/mol, XLogP of 72.91, 176 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (12E,24E,36E,48E,60E,72E,84E,95E,107E,119E,131E,143E,155E,167E,179E)-1,191-dibromo-95-(bromomethyl)hennonacontahecta-12,24,36,48,60,72,84,95,107,119,131,143,155,167,179-pentadecaene is sourced from PubChem (CID 10796678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).