7-(octoxymethyl)pentadecane

C24H50O — CID 15032029

IUPAC7-(octoxymethyl)pentadecane
SMILESCCCCCCCCOCC(CCCCCC)CCCCCCCC
InChIInChI=1S/C24H50O/c1-4-7-10-13-15-18-21-24(20-17-12-9-6-3)23-25-22-19-16-14-11-8-5-2/h24H,4-23H2,1-3H3
InChIKeySSWXHJLTOHVGEC-UHFFFAOYSA-N
MW354.66 g/mol
LogP8.70
Rot. Bonds21

About 7-(octoxymethyl)pentadecane

7-(octoxymethyl)pentadecane (PubChem CID 15032029) has the molecular formula C24H50O and a molecular weight of 354.66 g/mol. Its IUPAC name is 7-(octoxymethyl)pentadecane.

Molecular Properties

Compound Name7-(octoxymethyl)pentadecane
PubChem CID15032029
Molecular FormulaC24H50O
Molecular Weight354.66 g/mol
Exact Mass354.39
IUPAC Name7-(octoxymethyl)pentadecane
SMILESCCCCCCCCOCC(CCCCCC)CCCCCCCC
InChIInChI=1S/C24H50O/c1-4-7-10-13-15-18-21-24(20-17-12-9-6-3)23-25-22-19-16-14-11-8-5-2/h24H,4-23H2,1-3H3
InChIKeySSWXHJLTOHVGEC-UHFFFAOYSA-N
XLogP8.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.66
LogP ≤ 58.70
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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Frequently Asked Questions

What is the IUPAC name of 7-(octoxymethyl)pentadecane?
The IUPAC name of 7-(octoxymethyl)pentadecane (CID 15032029) is 7-(octoxymethyl)pentadecane.
What is the SMILES notation for 7-(octoxymethyl)pentadecane?
The canonical SMILES for 7-(octoxymethyl)pentadecane is CCCCCCCCOCC(CCCCCC)CCCCCCCC.
What is the InChIKey of 7-(octoxymethyl)pentadecane?
The InChIKey is SSWXHJLTOHVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O/c1-4-7-10-13-15-18-21-24(20-17-12-9-6-3)23-25-22-19-16-14-11-8-5-2/h24H,4-23H2,1-3H3.
What are the key properties of 7-(octoxymethyl)pentadecane?
7-(octoxymethyl)pentadecane has a molecular weight of 354.66 g/mol, XLogP of 8.70, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(octoxymethyl)pentadecane is sourced from PubChem (CID 15032029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).