15-(2-tetradecyloctadecoxymethyl)hentriacontane

C64H130O — CID 19909391

IUPAC15-(2-tetradecyloctadecoxymethyl)hentriacontane
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H130O/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63(57-53-49-45-41-37-31-27-23-19-15-11-7-3)61-65-62-64(58-54-50-46-42-38-32-28-24-20-16-12-8-4)60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h63-64H,5-62H2,1-4H3
InChIKeyKTTCJVDRBJYZOR-UHFFFAOYSA-N
MW915.74 g/mol
LogP24.16
Rot. Bonds60

About 15-(2-tetradecyloctadecoxymethyl)hentriacontane

15-(2-tetradecyloctadecoxymethyl)hentriacontane (PubChem CID 19909391) has the molecular formula C64H130O and a molecular weight of 915.74 g/mol. Its IUPAC name is 15-(2-tetradecyloctadecoxymethyl)hentriacontane.

Molecular Properties

Compound Name15-(2-tetradecyloctadecoxymethyl)hentriacontane
PubChem CID19909391
Molecular FormulaC64H130O
Molecular Weight915.74 g/mol
Exact Mass915.01
IUPAC Name15-(2-tetradecyloctadecoxymethyl)hentriacontane
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H130O/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63(57-53-49-45-41-37-31-27-23-19-15-11-7-3)61-65-62-64(58-54-50-46-42-38-32-28-24-20-16-12-8-4)60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h63-64H,5-62H2,1-4H3
InChIKeyKTTCJVDRBJYZOR-UHFFFAOYSA-N
XLogP24.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds60
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.74
LogP ≤ 524.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-propylheptoxymethyl)nonane
CID 56652319
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
10-(butoxymethyl)henicosane
CID 87840055
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
trisodium;7-(2-hexyldecoxymethyl)pentadecane;phosphate
CID 172746408
8-[2-[1-(2-heptyldecoxy)propan-2-yloxy]propoxymethyl]hexadecane
CID 175298314
4-(ethoxymethyl)nonane
CID 87066523
2-(2-tetradecyloctadecoxy)ethanamine
CID 139605045
oxirane;4-(2-propylheptoxymethyl)nonane
CID 157371001
2-(2-dodecylhexadecoxy)ethanamine
CID 139605053

Frequently Asked Questions

What is the IUPAC name of 15-(2-tetradecyloctadecoxymethyl)hentriacontane?
The IUPAC name of 15-(2-tetradecyloctadecoxymethyl)hentriacontane (CID 19909391) is 15-(2-tetradecyloctadecoxymethyl)hentriacontane.
What is the SMILES notation for 15-(2-tetradecyloctadecoxymethyl)hentriacontane?
The canonical SMILES for 15-(2-tetradecyloctadecoxymethyl)hentriacontane is CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.
What is the InChIKey of 15-(2-tetradecyloctadecoxymethyl)hentriacontane?
The InChIKey is KTTCJVDRBJYZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H130O/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63(57-53-49-45-41-37-31-27-23-19-15-11-7-3)61-65-62-64(58-54-50-46-42-38-32-28-24-20-16-12-8-4)60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h63-64H,5-62H2,1-4H3.
What are the key properties of 15-(2-tetradecyloctadecoxymethyl)hentriacontane?
15-(2-tetradecyloctadecoxymethyl)hentriacontane has a molecular weight of 915.74 g/mol, XLogP of 24.16, 60 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-tetradecyloctadecoxymethyl)hentriacontane is sourced from PubChem (CID 19909391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).