1-propan-2-yloxydodecane

C15H32O — CID 537042

IUPAC1-propan-2-yloxydodecane
SMILESCCCCCCCCCCCCOC(C)C
InChIInChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h15H,4-14H2,1-3H3
InChIKeyJYJHLFUHTHWNSJ-UHFFFAOYSA-N
MW228.42 g/mol
LogP5.33
Rot. Bonds12

About 1-propan-2-yloxydodecane

1-propan-2-yloxydodecane (PubChem CID 537042) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-propan-2-yloxydodecane.

Molecular Properties

Compound Name1-propan-2-yloxydodecane
PubChem CID537042
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name1-propan-2-yloxydodecane
SMILESCCCCCCCCCCCCOC(C)C
InChIInChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h15H,4-14H2,1-3H3
InChIKeyJYJHLFUHTHWNSJ-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.33
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

2,5-Diethyltetrahydrofuran
CID 62913
1,2-Epoxyhexadecane
CID 23741
Dicaprylyl Ether
CID 12399
1,2-Epoxydecane
CID 16993
1,2-Epoxydodecane
CID 17858
1,2-Epoxytetradecane
CID 18604
2-Butyltetrahydrofuran
CID 13861
Didecyl Ether
CID 17152
Decane, 1-methoxy-
CID 23716
Dilauryl Ether
CID 20667
Dicetyl Ether
CID 77757
Dimyristyl Ether
CID 79433

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxydodecane?
The IUPAC name of 1-propan-2-yloxydodecane (CID 537042) is 1-propan-2-yloxydodecane.
What is the SMILES notation for 1-propan-2-yloxydodecane?
The canonical SMILES for 1-propan-2-yloxydodecane is CCCCCCCCCCCCOC(C)C.
What is the InChIKey of 1-propan-2-yloxydodecane?
The InChIKey is JYJHLFUHTHWNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h15H,4-14H2,1-3H3.
What are the key properties of 1-propan-2-yloxydodecane?
1-propan-2-yloxydodecane has a molecular weight of 228.42 g/mol, XLogP of 5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxydodecane is sourced from PubChem (CID 537042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).