4-(bromomethyl)-6-propan-2-yloxyhex-1-ene

C10H19BrO — CID 165442986

IUPAC4-(bromomethyl)-6-propan-2-yloxyhex-1-ene
SMILESC=CCC(CBr)CCOC(C)C
InChIInChI=1S/C10H19BrO/c1-4-5-10(8-11)6-7-12-9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyXUUUYJKQMUASQH-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.39
Rot. Bonds7

About 4-(bromomethyl)-6-propan-2-yloxyhex-1-ene

4-(bromomethyl)-6-propan-2-yloxyhex-1-ene (PubChem CID 165442986) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 4-(bromomethyl)-6-propan-2-yloxyhex-1-ene.

Molecular Properties

Compound Name4-(bromomethyl)-6-propan-2-yloxyhex-1-ene
PubChem CID165442986
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name4-(bromomethyl)-6-propan-2-yloxyhex-1-ene
SMILESC=CCC(CBr)CCOC(C)C
InChIInChI=1S/C10H19BrO/c1-4-5-10(8-11)6-7-12-9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyXUUUYJKQMUASQH-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-(bromomethyl)pent-1-ene
CID 119097828
4-(bromomethyl)-7,7-dimethyloct-1-ene
CID 165442984
4-(bromomethyl)-6-methylsulfinylhex-1-ene
CID 165444105
2-(2-propan-2-yloxyethyl)propane-1,3-diol
CID 79450702
4-methyl-5-propan-2-yloxypent-1-ene
CID 144799299
4-(bromomethyl)hept-6-enoxymethylbenzene
CID 131093267
4-(bromomethyl)-6-methoxy-5-methylhex-1-ene
CID 165442980
2-ethyl-4-propan-2-yloxybutan-1-amine
CID 62505912
(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene
CID 129359665
3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium
CID 161486686
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
2-(2-ethenoxyethoxy)propane
CID 14510947

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-propan-2-yloxyhex-1-ene?
The IUPAC name of 4-(bromomethyl)-6-propan-2-yloxyhex-1-ene (CID 165442986) is 4-(bromomethyl)-6-propan-2-yloxyhex-1-ene.
What is the SMILES notation for 4-(bromomethyl)-6-propan-2-yloxyhex-1-ene?
The canonical SMILES for 4-(bromomethyl)-6-propan-2-yloxyhex-1-ene is C=CCC(CBr)CCOC(C)C.
What is the InChIKey of 4-(bromomethyl)-6-propan-2-yloxyhex-1-ene?
The InChIKey is XUUUYJKQMUASQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-4-5-10(8-11)6-7-12-9(2)3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 4-(bromomethyl)-6-propan-2-yloxyhex-1-ene?
4-(bromomethyl)-6-propan-2-yloxyhex-1-ene has a molecular weight of 235.16 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-propan-2-yloxyhex-1-ene is sourced from PubChem (CID 165442986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).