3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane

C25H50O2 — CID 173420857

IUPAC3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane
SMILESCCCCCCCCCCCCCCCCC(OC(OC)=C(C)C)C(C)C
InChIInChI=1S/C25H50O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(22(2)3)27-25(26-6)23(4)5/h22,24H,7-21H2,1-6H3
InChIKeyNVXMREMYNAODQW-UHFFFAOYSA-N
MW382.67 g/mol
LogP8.80
Rot. Bonds19

About 3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane

3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane (PubChem CID 173420857) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is 3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane.

Molecular Properties

Compound Name3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane
PubChem CID173420857
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Name3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane
SMILESCCCCCCCCCCCCCCCCC(OC(OC)=C(C)C)C(C)C
InChIInChI=1S/C25H50O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(22(2)3)27-25(26-6)23(4)5/h22,24H,7-21H2,1-6H3
InChIKeyNVXMREMYNAODQW-UHFFFAOYSA-N
XLogP8.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
2-methylnonan-3-yl propyl carbonate
CID 129131693
[(3R)-2-methyloctadecan-3-yl] 2,2,2-trifluoroacetate
CID 91012006
3-ethoxy-2-methyldodecane
CID 78302637
2-methoxynonane-1,1-diol
CID 175114695
2-methylheptan-3-yl hydrogen carbonate
CID 87132104
2-methyldecan-3-yl hydrogen sulfate
CID 154505461
methyl (2S)-2-[(1S)-1-acetyloxydecyl]hexadecanoate
CID 162921149
methyl 9,10-diacetyloxyoctadecanoate
CID 14345254
methyl (2R,3S)-3-acetyloxy-2-tetradecyloctadecanoate
CID 162879731
3-(2-hydroxytetradecan-3-yloxy)tetradecan-2-ol
CID 141007473
2-methyloctan-3-yl 4-hydroxyoctanoate
CID 87363154

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane?
The IUPAC name of 3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane (CID 173420857) is 3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane.
What is the SMILES notation for 3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane?
The canonical SMILES for 3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane is CCCCCCCCCCCCCCCCC(OC(OC)=C(C)C)C(C)C.
What is the InChIKey of 3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane?
The InChIKey is NVXMREMYNAODQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(22(2)3)27-25(26-6)23(4)5/h22,24H,7-21H2,1-6H3.
What are the key properties of 3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane?
3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane has a molecular weight of 382.67 g/mol, XLogP of 8.80, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-2-methylprop-1-enoxy)-2-methylnonadecane is sourced from PubChem (CID 173420857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).