1-hex-3-en-2-yloxyoctadecane

C24H48O — CID 151809974

IUPAC1-hex-3-en-2-yloxyoctadecane
SMILESCCC=CC(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H48O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(3)22-7-5-2/h7,22,24H,4-6,8-21,23H2,1-3H3
InChIKeySAKFDQDJXOBSOB-UHFFFAOYSA-N
MW352.65 g/mol
LogP8.62
Rot. Bonds20

About 1-hex-3-en-2-yloxyoctadecane

1-hex-3-en-2-yloxyoctadecane (PubChem CID 151809974) has the molecular formula C24H48O and a molecular weight of 352.65 g/mol. Its IUPAC name is 1-hex-3-en-2-yloxyoctadecane.

Molecular Properties

Compound Name1-hex-3-en-2-yloxyoctadecane
PubChem CID151809974
Molecular FormulaC24H48O
Molecular Weight352.65 g/mol
Exact Mass352.37
IUPAC Name1-hex-3-en-2-yloxyoctadecane
SMILESCCC=CC(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H48O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(3)22-7-5-2/h7,22,24H,4-6,8-21,23H2,1-3H3
InChIKeySAKFDQDJXOBSOB-UHFFFAOYSA-N
XLogP8.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-hexan-2-yloxydecane
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1-octan-2-yloxydecane
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1-nonan-2-yloxyoctadecane
CID 88815684
1-decoxy-N-(1-decoxyethyl)ethanamine
CID 173191939
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069

Frequently Asked Questions

What is the IUPAC name of 1-hex-3-en-2-yloxyoctadecane?
The IUPAC name of 1-hex-3-en-2-yloxyoctadecane (CID 151809974) is 1-hex-3-en-2-yloxyoctadecane.
What is the SMILES notation for 1-hex-3-en-2-yloxyoctadecane?
The canonical SMILES for 1-hex-3-en-2-yloxyoctadecane is CCC=CC(C)OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-hex-3-en-2-yloxyoctadecane?
The InChIKey is SAKFDQDJXOBSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(3)22-7-5-2/h7,22,24H,4-6,8-21,23H2,1-3H3.
What are the key properties of 1-hex-3-en-2-yloxyoctadecane?
1-hex-3-en-2-yloxyoctadecane has a molecular weight of 352.65 g/mol, XLogP of 8.62, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-3-en-2-yloxyoctadecane is sourced from PubChem (CID 151809974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).