19-(methoxymethyl)heptatriacontane

C39H80O — CID 59499210

IUPAC19-(methoxymethyl)heptatriacontane
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)COC
InChIInChI=1S/C39H80O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39(38-40-3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39H,4-38H2,1-3H3
InChIKeyAXVSUOXXNVCIJI-UHFFFAOYSA-N
MW565.07 g/mol
LogP14.55
Rot. Bonds36

About 19-(methoxymethyl)heptatriacontane

19-(methoxymethyl)heptatriacontane (PubChem CID 59499210) has the molecular formula C39H80O and a molecular weight of 565.07 g/mol. Its IUPAC name is 19-(methoxymethyl)heptatriacontane.

Molecular Properties

Compound Name19-(methoxymethyl)heptatriacontane
PubChem CID59499210
Molecular FormulaC39H80O
Molecular Weight565.07 g/mol
Exact Mass564.62
IUPAC Name19-(methoxymethyl)heptatriacontane
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)COC
InChIInChI=1S/C39H80O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39(38-40-3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39H,4-38H2,1-3H3
InChIKeyAXVSUOXXNVCIJI-UHFFFAOYSA-N
XLogP14.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.07
LogP ≤ 514.55
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

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CID 19909391
7-(nonoxymethyl)pentadecane
CID 86224814
10-(butoxymethyl)henicosane
CID 87840055
6-(heptoxymethyl)tridecane
CID 87840359
9-(tetradecoxymethyl)nonadecane
CID 142746550
1-methoxy-2-methyldecane
CID 13444249
(3R)-3-ethyl-1-methoxynonane
CID 118890071
1-methoxy-2,12-dimethyldocosane
CID 91752253
CID 178056197
CID 178056197
20,26-di(heptadecyl)pentatetracontane
CID 102213068

Frequently Asked Questions

What is the IUPAC name of 19-(methoxymethyl)heptatriacontane?
The IUPAC name of 19-(methoxymethyl)heptatriacontane (CID 59499210) is 19-(methoxymethyl)heptatriacontane.
What is the SMILES notation for 19-(methoxymethyl)heptatriacontane?
The canonical SMILES for 19-(methoxymethyl)heptatriacontane is CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)COC.
What is the InChIKey of 19-(methoxymethyl)heptatriacontane?
The InChIKey is AXVSUOXXNVCIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H80O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39(38-40-3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39H,4-38H2,1-3H3.
What are the key properties of 19-(methoxymethyl)heptatriacontane?
19-(methoxymethyl)heptatriacontane has a molecular weight of 565.07 g/mol, XLogP of 14.55, 36 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(methoxymethyl)heptatriacontane is sourced from PubChem (CID 59499210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).