1-propan-2-yloxyhexadecane

C19H40O — CID 12838326

IUPAC1-propan-2-yloxyhexadecane
SMILESCCCCCCCCCCCCCCCCOC(C)C
InChIInChI=1S/C19H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(2)3/h19H,4-18H2,1-3H3
InChIKeyCEXOLTXCCQUWDT-UHFFFAOYSA-N
MW284.53 g/mol
LogP6.89
Rot. Bonds16

About 1-propan-2-yloxyhexadecane

1-propan-2-yloxyhexadecane (PubChem CID 12838326) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is 1-propan-2-yloxyhexadecane.

Molecular Properties

Compound Name1-propan-2-yloxyhexadecane
PubChem CID12838326
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name1-propan-2-yloxyhexadecane
SMILESCCCCCCCCCCCCCCCCOC(C)C
InChIInChI=1S/C19H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(2)3/h19H,4-18H2,1-3H3
InChIKeyCEXOLTXCCQUWDT-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.89
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 1-propan-2-yloxyhexadecane?
The IUPAC name of 1-propan-2-yloxyhexadecane (CID 12838326) is 1-propan-2-yloxyhexadecane.
What is the SMILES notation for 1-propan-2-yloxyhexadecane?
The canonical SMILES for 1-propan-2-yloxyhexadecane is CCCCCCCCCCCCCCCCOC(C)C.
What is the InChIKey of 1-propan-2-yloxyhexadecane?
The InChIKey is CEXOLTXCCQUWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(2)3/h19H,4-18H2,1-3H3.
What are the key properties of 1-propan-2-yloxyhexadecane?
1-propan-2-yloxyhexadecane has a molecular weight of 284.53 g/mol, XLogP of 6.89, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyhexadecane is sourced from PubChem (CID 12838326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).