10-(4-bromobutoxy)nonadeca-1,18-diene

C23H43BrO — CID 146462897

IUPAC10-(4-bromobutoxy)nonadeca-1,18-diene
SMILESC=CCCCCCCCC(CCCCCCCC=C)OCCCCBr
InChIInChI=1S/C23H43BrO/c1-3-5-7-9-11-13-15-19-23(25-22-18-17-21-24)20-16-14-12-10-8-6-4-2/h3-4,23H,1-2,5-22H2
InChIKeyBUESPOGEWDHJQJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP8.38
Rot. Bonds21

About 10-(4-bromobutoxy)nonadeca-1,18-diene

10-(4-bromobutoxy)nonadeca-1,18-diene (PubChem CID 146462897) has the molecular formula C23H43BrO and a molecular weight of 415.50 g/mol. Its IUPAC name is 10-(4-bromobutoxy)nonadeca-1,18-diene.

Molecular Properties

Compound Name10-(4-bromobutoxy)nonadeca-1,18-diene
PubChem CID146462897
Molecular FormulaC23H43BrO
Molecular Weight415.50 g/mol
Exact Mass414.25
IUPAC Name10-(4-bromobutoxy)nonadeca-1,18-diene
SMILESC=CCCCCCCCC(CCCCCCCC=C)OCCCCBr
InChIInChI=1S/C23H43BrO/c1-3-5-7-9-11-13-15-19-23(25-22-18-17-21-24)20-16-14-12-10-8-6-4-2/h3-4,23H,1-2,5-22H2
InChIKeyBUESPOGEWDHJQJ-UHFFFAOYSA-N
XLogP8.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 15155894
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CID 3022579
12-dodec-11-enoxydodec-1-ene
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1-[3-(3-hexadecoxy-2-hex-5-enoxypropyl)peroxy-2-hex-5-enoxypropoxy]hexadecane
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CID 20520524

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromobutoxy)nonadeca-1,18-diene?
The IUPAC name of 10-(4-bromobutoxy)nonadeca-1,18-diene (CID 146462897) is 10-(4-bromobutoxy)nonadeca-1,18-diene.
What is the SMILES notation for 10-(4-bromobutoxy)nonadeca-1,18-diene?
The canonical SMILES for 10-(4-bromobutoxy)nonadeca-1,18-diene is C=CCCCCCCCC(CCCCCCCC=C)OCCCCBr.
What is the InChIKey of 10-(4-bromobutoxy)nonadeca-1,18-diene?
The InChIKey is BUESPOGEWDHJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43BrO/c1-3-5-7-9-11-13-15-19-23(25-22-18-17-21-24)20-16-14-12-10-8-6-4-2/h3-4,23H,1-2,5-22H2.
What are the key properties of 10-(4-bromobutoxy)nonadeca-1,18-diene?
10-(4-bromobutoxy)nonadeca-1,18-diene has a molecular weight of 415.50 g/mol, XLogP of 8.38, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromobutoxy)nonadeca-1,18-diene is sourced from PubChem (CID 146462897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).