1-hexan-2-yloxydecane

C16H34O — CID 57029724

IUPAC1-hexan-2-yloxydecane
SMILESCCCCCCCCCCOC(C)CCCC
InChIInChI=1S/C16H34O/c1-4-6-8-9-10-11-12-13-15-17-16(3)14-7-5-2/h16H,4-15H2,1-3H3
InChIKeyOYWWLRSKDKETBI-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.72
Rot. Bonds13

About 1-hexan-2-yloxydecane

1-hexan-2-yloxydecane (PubChem CID 57029724) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-hexan-2-yloxydecane.

Molecular Properties

Compound Name1-hexan-2-yloxydecane
PubChem CID57029724
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name1-hexan-2-yloxydecane
SMILESCCCCCCCCCCOC(C)CCCC
InChIInChI=1S/C16H34O/c1-4-6-8-9-10-11-12-13-15-17-16(3)14-7-5-2/h16H,4-15H2,1-3H3
InChIKeyOYWWLRSKDKETBI-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.72
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

1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
2-butoxyhexane;ethane
CID 144590910
1-(3-dodecoxybutoxy)dodecane
CID 173358855
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
2-(2-methoxyethoxy)octadecane
CID 89276167
2-octan-2-yloxyethanamine
CID 43127313
2-(2-chloroethoxy)octane
CID 20788636
2-hex-5-ynoxyhexane
CID 54235991
6-octan-2-yloxyhexan-2-one
CID 43793687

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yloxydecane?
The IUPAC name of 1-hexan-2-yloxydecane (CID 57029724) is 1-hexan-2-yloxydecane.
What is the SMILES notation for 1-hexan-2-yloxydecane?
The canonical SMILES for 1-hexan-2-yloxydecane is CCCCCCCCCCOC(C)CCCC.
What is the InChIKey of 1-hexan-2-yloxydecane?
The InChIKey is OYWWLRSKDKETBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-4-6-8-9-10-11-12-13-15-17-16(3)14-7-5-2/h16H,4-15H2,1-3H3.
What are the key properties of 1-hexan-2-yloxydecane?
1-hexan-2-yloxydecane has a molecular weight of 242.45 g/mol, XLogP of 5.72, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yloxydecane is sourced from PubChem (CID 57029724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).