2-(6-bromohex-2-ynoxy)oxane

C11H17BrO2 — CID 10801356

IUPAC2-(6-bromohex-2-ynoxy)oxane
SMILESBrCCCC#CCOC1CCCCO1
InChIInChI=1S/C11H17BrO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h11H,1,3-4,6-10H2
InChIKeyJTSAYCQHXHJCFP-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.71
Rot. Bonds4

About 2-(6-bromohex-2-ynoxy)oxane

2-(6-bromohex-2-ynoxy)oxane (PubChem CID 10801356) has the molecular formula C11H17BrO2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-(6-bromohex-2-ynoxy)oxane.

Molecular Properties

Compound Name2-(6-bromohex-2-ynoxy)oxane
PubChem CID10801356
Molecular FormulaC11H17BrO2
Molecular Weight261.16 g/mol
Exact Mass260.04
IUPAC Name2-(6-bromohex-2-ynoxy)oxane
SMILESBrCCCC#CCOC1CCCCO1
InChIInChI=1S/C11H17BrO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h11H,1,3-4,6-10H2
InChIKeyJTSAYCQHXHJCFP-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-dodeca-2,7-diynoxyoxane
CID 57283725
2-hex-2-ynoxyoxane
CID 11041365
2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
CID 71335420
2-octadeca-2,5,8-triynoxyoxane
CID 11099965
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid
CID 94037813
2-(12-bromododecoxy)oxane
CID 11078592
1-bromopentane;2-dodeca-5,11-diynoxyoxane;octa-1,7-diyne
CID 161441664
zinc 2-(3-bromopropoxy)oxane
CID 175895645
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromohex-2-ynoxy)oxane?
The IUPAC name of 2-(6-bromohex-2-ynoxy)oxane (CID 10801356) is 2-(6-bromohex-2-ynoxy)oxane.
What is the SMILES notation for 2-(6-bromohex-2-ynoxy)oxane?
The canonical SMILES for 2-(6-bromohex-2-ynoxy)oxane is BrCCCC#CCOC1CCCCO1.
What is the InChIKey of 2-(6-bromohex-2-ynoxy)oxane?
The InChIKey is JTSAYCQHXHJCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h11H,1,3-4,6-10H2.
What are the key properties of 2-(6-bromohex-2-ynoxy)oxane?
2-(6-bromohex-2-ynoxy)oxane has a molecular weight of 261.16 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromohex-2-ynoxy)oxane is sourced from PubChem (CID 10801356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).