1-bromo-9-but-3-enoxynonane

C13H25BrO — CID 105343299

IUPAC1-bromo-9-but-3-enoxynonane
SMILESC=CCCOCCCCCCCCCBr
InChIInChI=1S/C13H25BrO/c1-2-3-12-15-13-10-8-6-4-5-7-9-11-14/h2H,1,3-13H2
InChIKeyZMLDIQNQDOBMRS-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.70
Rot. Bonds12

About 1-bromo-9-but-3-enoxynonane

1-bromo-9-but-3-enoxynonane (PubChem CID 105343299) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-bromo-9-but-3-enoxynonane.

Molecular Properties

Compound Name1-bromo-9-but-3-enoxynonane
PubChem CID105343299
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name1-bromo-9-but-3-enoxynonane
SMILESC=CCCOCCCCCCCCCBr
InChIInChI=1S/C13H25BrO/c1-2-3-12-15-13-10-8-6-4-5-7-9-11-14/h2H,1,3-13H2
InChIKeyZMLDIQNQDOBMRS-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.70
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

1-But-3-enoxyoctane
CID 15782081
4-(10-Bromodecyloxy)-1,6-heptadiene
CID 11078067
1-Bromo-8-hexa-1,5-dien-3-yloxyoctane
CID 19009398
8-Bromooctyl allyl ether
CID 19797894
1-Bromo-8-hex-5-enoxyoctane
CID 19797899
1-Bromo-8-[(but-3-en-1-yl)oxy]octane
CID 19797909
5-(10-Bromodecyloxy)-1,8-nonadiene
CID 19917656
6-Bromohexylbut-3-enyl ether
CID 85861973
10-Bromo-4-(10-bromodec-1-en-4-yloxy)dec-1-ene
CID 87838402
1-But-3-enoxydecane
CID 101379254
12-(4-Bromobutoxy)tricosa-1,22-diene
CID 123727826
Undecane, 1-bromo-11-(2-propen-1-yloxy)-
CID 137700672

Frequently Asked Questions

What is the IUPAC name of 1-bromo-9-but-3-enoxynonane?
The IUPAC name of 1-bromo-9-but-3-enoxynonane (CID 105343299) is 1-bromo-9-but-3-enoxynonane.
What is the SMILES notation for 1-bromo-9-but-3-enoxynonane?
The canonical SMILES for 1-bromo-9-but-3-enoxynonane is C=CCCOCCCCCCCCCBr.
What is the InChIKey of 1-bromo-9-but-3-enoxynonane?
The InChIKey is ZMLDIQNQDOBMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO/c1-2-3-12-15-13-10-8-6-4-5-7-9-11-14/h2H,1,3-13H2.
What are the key properties of 1-bromo-9-but-3-enoxynonane?
1-bromo-9-but-3-enoxynonane has a molecular weight of 277.25 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9-but-3-enoxynonane is sourced from PubChem (CID 105343299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).