1-(6-bromohexoxy)decane

C16H33BrO — CID 163381140

IUPAC1-(6-bromohexoxy)decane
SMILESCCCCCCCCCCOCCCCCCBr
InChIInChI=1S/C16H33BrO/c1-2-3-4-5-6-7-9-12-15-18-16-13-10-8-11-14-17/h2-16H2,1H3
InChIKeyHXCHVQMFTTVOQP-UHFFFAOYSA-N
MW321.34 g/mol
LogP6.10
Rot. Bonds15

About 1-(6-bromohexoxy)decane

1-(6-bromohexoxy)decane (PubChem CID 163381140) has the molecular formula C16H33BrO and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(6-bromohexoxy)decane.

Molecular Properties

Compound Name1-(6-bromohexoxy)decane
PubChem CID163381140
Molecular FormulaC16H33BrO
Molecular Weight321.34 g/mol
Exact Mass320.17
IUPAC Name1-(6-bromohexoxy)decane
SMILESCCCCCCCCCCOCCCCCCBr
InChIInChI=1S/C16H33BrO/c1-2-3-4-5-6-7-9-12-15-18-16-13-10-8-11-14-17/h2-16H2,1H3
InChIKeyHXCHVQMFTTVOQP-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.34
LogP ≤ 56.10
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'}

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Related Compounds

1-bromo-7-heptoxyheptane
CID 59707760
1-bromo-8-butoxyoctane
CID 88564770
1-bromo-6-(3-butoxypropoxy)hexane
CID 19987565
1-bromo-9-(2-butoxyethoxy)nonane
CID 105343286
1-(2-bromoethoxy)nonane
CID 59341239
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1,8-bis(4-bromobutoxy)octane
CID 139648501
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromohexoxy)decane?
The IUPAC name of 1-(6-bromohexoxy)decane (CID 163381140) is 1-(6-bromohexoxy)decane.
What is the SMILES notation for 1-(6-bromohexoxy)decane?
The canonical SMILES for 1-(6-bromohexoxy)decane is CCCCCCCCCCOCCCCCCBr.
What is the InChIKey of 1-(6-bromohexoxy)decane?
The InChIKey is HXCHVQMFTTVOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33BrO/c1-2-3-4-5-6-7-9-12-15-18-16-13-10-8-11-14-17/h2-16H2,1H3.
What are the key properties of 1-(6-bromohexoxy)decane?
1-(6-bromohexoxy)decane has a molecular weight of 321.34 g/mol, XLogP of 6.10, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromohexoxy)decane is sourced from PubChem (CID 163381140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).