octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol

C199H434N20O8 — CID 159348371

About octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol

octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol (PubChem CID 159348371) has the molecular formula C199H434N20O8 and a molecular weight of 3235.79 g/mol. Its IUPAC name is octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol.

Molecular Properties

• Compound Name: octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol
• PubChem CID: 159348371
• Molecular Formula: C199H434N20O8
• Molecular Weight: 3235.79 g/mol
• Exact Mass: 3233.42
• IUPAC Name: octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol
• SMILES: CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.OCCN1CCCNCCCN(CCO)CCNCCC1.OCCN1CCCNCCCNCCCN(CCO)CC1.OCCN1CCCNCCCNCCCNCC1.OCCN1CCCNCCCNCCNCCC1.OCCN1CCCNCCNCCCN(CCO)CCC1
• InChI: InChI=1S/8C16H34.3C15H34N4O2.2C13H30N4O/c8*1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;20-14-12-18-8-1-4-16-6-7-17-5-2-9-19(13-15-21)11-3-10-18;20-14-12-18-8-1-4-16-5-2-10-19(13-15-21)11-7-17-6-3-9-18;20-14-12-18-8-2-6-16-4-1-5-17-7-3-9-19(11-10-18)13-15-21;18-13-12-17-10-3-8-15-6-1-4-14-5-2-7-16-9-11-17;18-13-12-17-10-2-6-14-4-1-5-15-8-9-16-7-3-11-17/h8*3-16H2,1-2H3;3*16-17,20-21H,1-15H2;2*14-16,18H,1-13H2
• InChIKey: LHAAKNRSVPXHLP-UHFFFAOYSA-N
• XLogP: 47.18
• TPSA: 332.12 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 28
• Rotatable Bonds: 120
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3235.79
LogP ≤ 5	47.18
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol?

The IUPAC name of octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol (CID 159348371) is octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol.

What is the SMILES notation for octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol?

The canonical SMILES for octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol is CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.OCCN1CCCNCCCN(CCO)CCNCCC1.OCCN1CCCNCCCNCCCN(CCO)CC1.OCCN1CCCNCCCNCCCNCC1.OCCN1CCCNCCCNCCNCCC1.OCCN1CCCNCCNCCCN(CCO)CCC1.

What is the InChIKey of octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol?

The InChIKey is LHAAKNRSVPXHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/8C16H34.3C15H34N4O2.2C13H30N4O/c8*1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;20-14-12-18-8-1-4-16-6-7-17-5-2-9-19(13-15-21)11-3-10-18;20-14-12-18-8-1-4-16-5-2-10-19(13-15-21)11-7-17-6-3-9-18;20-14-12-18-8-2-6-16-4-1-5-17-7-3-9-19(11-10-18)13-15-21;18-13-12-17-10-3-8-15-6-1-4-14-5-2-7-16-9-11-17;18-13-12-17-10-2-6-14-4-1-5-15-8-9-16-7-3-11-17/h8*3-16H2,1-2H3;3*16-17,20-21H,1-15H2;2*14-16,18H,1-13H2.

What are the key properties of octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol?

octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol has a molecular weight of 3235.79 g/mol, XLogP of 47.18, 120 rotatable bonds, 20 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol is sourced from PubChem (CID 159348371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).