7-(2-hexyldecoxymethyl)pentadecane

C32H66O — CID 15032028

IUPAC7-(2-hexyldecoxymethyl)pentadecane
SMILESCCCCCCCCC(CCCCCC)COCC(CCCCCC)CCCCCCCC
InChIInChI=1S/C32H66O/c1-5-9-13-17-19-23-27-31(25-21-15-11-7-3)29-33-30-32(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h31-32H,5-30H2,1-4H3
InChIKeyBHFUIYPKSPIREE-UHFFFAOYSA-N
MW466.88 g/mol
LogP11.68
Rot. Bonds28

About 7-(2-hexyldecoxymethyl)pentadecane

7-(2-hexyldecoxymethyl)pentadecane (PubChem CID 15032028) has the molecular formula C32H66O and a molecular weight of 466.88 g/mol. Its IUPAC name is 7-(2-hexyldecoxymethyl)pentadecane.

Molecular Properties

Compound Name7-(2-hexyldecoxymethyl)pentadecane
PubChem CID15032028
Molecular FormulaC32H66O
Molecular Weight466.88 g/mol
Exact Mass466.51
IUPAC Name7-(2-hexyldecoxymethyl)pentadecane
SMILESCCCCCCCCC(CCCCCC)COCC(CCCCCC)CCCCCCCC
InChIInChI=1S/C32H66O/c1-5-9-13-17-19-23-27-31(25-21-15-11-7-3)29-33-30-32(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h31-32H,5-30H2,1-4H3
InChIKeyBHFUIYPKSPIREE-UHFFFAOYSA-N
XLogP11.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 511.68
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-(2-hexyldecoxymethyl)pentadecane?
The IUPAC name of 7-(2-hexyldecoxymethyl)pentadecane (CID 15032028) is 7-(2-hexyldecoxymethyl)pentadecane.
What is the SMILES notation for 7-(2-hexyldecoxymethyl)pentadecane?
The canonical SMILES for 7-(2-hexyldecoxymethyl)pentadecane is CCCCCCCCC(CCCCCC)COCC(CCCCCC)CCCCCCCC.
What is the InChIKey of 7-(2-hexyldecoxymethyl)pentadecane?
The InChIKey is BHFUIYPKSPIREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66O/c1-5-9-13-17-19-23-27-31(25-21-15-11-7-3)29-33-30-32(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h31-32H,5-30H2,1-4H3.
What are the key properties of 7-(2-hexyldecoxymethyl)pentadecane?
7-(2-hexyldecoxymethyl)pentadecane has a molecular weight of 466.88 g/mol, XLogP of 11.68, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hexyldecoxymethyl)pentadecane is sourced from PubChem (CID 15032028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).