7-(2-ethylhexoxymethyl)pentadecane

C24H50O — CID 134599291

IUPAC7-(2-ethylhexoxymethyl)pentadecane
SMILESCCCCCCCCC(CCCCCC)COCC(CC)CCCC
InChIInChI=1S/C24H50O/c1-5-9-12-14-15-17-20-24(19-16-13-10-6-2)22-25-21-23(8-4)18-11-7-3/h23-24H,5-22H2,1-4H3
InChIKeyJWLHBWIDXZWRMW-UHFFFAOYSA-N
MW354.66 g/mol
LogP8.56
Rot. Bonds20

About 7-(2-ethylhexoxymethyl)pentadecane

7-(2-ethylhexoxymethyl)pentadecane (PubChem CID 134599291) has the molecular formula C24H50O and a molecular weight of 354.66 g/mol. Its IUPAC name is 7-(2-ethylhexoxymethyl)pentadecane.

Molecular Properties

Compound Name7-(2-ethylhexoxymethyl)pentadecane
PubChem CID134599291
Molecular FormulaC24H50O
Molecular Weight354.66 g/mol
Exact Mass354.39
IUPAC Name7-(2-ethylhexoxymethyl)pentadecane
SMILESCCCCCCCCC(CCCCCC)COCC(CC)CCCC
InChIInChI=1S/C24H50O/c1-5-9-12-14-15-17-20-24(19-16-13-10-6-2)22-25-21-23(8-4)18-11-7-3/h23-24H,5-22H2,1-4H3
InChIKeyJWLHBWIDXZWRMW-UHFFFAOYSA-N
XLogP8.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.66
LogP ≤ 58.56
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

15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
4-(2-propylheptoxymethyl)nonane
CID 56652319
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
3-(2-ethyloctoxy)propane-1,2-diol
CID 23105906
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
CID 87392614
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
10-(butoxymethyl)henicosane
CID 87840055
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylhexoxymethyl)pentadecane?
The IUPAC name of 7-(2-ethylhexoxymethyl)pentadecane (CID 134599291) is 7-(2-ethylhexoxymethyl)pentadecane.
What is the SMILES notation for 7-(2-ethylhexoxymethyl)pentadecane?
The canonical SMILES for 7-(2-ethylhexoxymethyl)pentadecane is CCCCCCCCC(CCCCCC)COCC(CC)CCCC.
What is the InChIKey of 7-(2-ethylhexoxymethyl)pentadecane?
The InChIKey is JWLHBWIDXZWRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O/c1-5-9-12-14-15-17-20-24(19-16-13-10-6-2)22-25-21-23(8-4)18-11-7-3/h23-24H,5-22H2,1-4H3.
What are the key properties of 7-(2-ethylhexoxymethyl)pentadecane?
7-(2-ethylhexoxymethyl)pentadecane has a molecular weight of 354.66 g/mol, XLogP of 8.56, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylhexoxymethyl)pentadecane is sourced from PubChem (CID 134599291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).