4-(bromomethyl)-6-methoxy-5-methylhex-1-ene

C9H17BrO — CID 165442980

IUPAC4-(bromomethyl)-6-methoxy-5-methylhex-1-ene
SMILESC=CCC(CBr)C(C)COC
InChIInChI=1S/C9H17BrO/c1-4-5-9(6-10)8(2)7-11-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyQNFRZNIERGTUIM-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.86
Rot. Bonds6

About 4-(bromomethyl)-6-methoxy-5-methylhex-1-ene

4-(bromomethyl)-6-methoxy-5-methylhex-1-ene (PubChem CID 165442980) has the molecular formula C9H17BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is 4-(bromomethyl)-6-methoxy-5-methylhex-1-ene.

Molecular Properties

Compound Name4-(bromomethyl)-6-methoxy-5-methylhex-1-ene
PubChem CID165442980
Molecular FormulaC9H17BrO
Molecular Weight221.14 g/mol
Exact Mass220.05
IUPAC Name4-(bromomethyl)-6-methoxy-5-methylhex-1-ene
SMILESC=CCC(CBr)C(C)COC
InChIInChI=1S/C9H17BrO/c1-4-5-9(6-10)8(2)7-11-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyQNFRZNIERGTUIM-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.86
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

1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
5-methoxy-4-(methoxymethyl)hex-1-ene
CID 89049171
5-(bromomethyl)-4,7-dimethyloct-1-ene
CID 165445728
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935
4,5-dimethoxypent-1-ene
CID 73040162
4-propan-2-ylhepta-1,6-diene
CID 14140894
(2S,3S)-2-(methoxymethyl)-3-methylhex-5-enoic acid
CID 146545497
4-ethyl-5,6-dimethyloct-1-ene
CID 123882592
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280
4-(bromomethyl)-6-propan-2-yloxyhex-1-ene
CID 165442986
5-bromo-4-methylhex-1-ene
CID 78976582
7-methoxy-N,6-dimethylhept-1-en-4-amine
CID 105108659

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-methoxy-5-methylhex-1-ene?
The IUPAC name of 4-(bromomethyl)-6-methoxy-5-methylhex-1-ene (CID 165442980) is 4-(bromomethyl)-6-methoxy-5-methylhex-1-ene.
What is the SMILES notation for 4-(bromomethyl)-6-methoxy-5-methylhex-1-ene?
The canonical SMILES for 4-(bromomethyl)-6-methoxy-5-methylhex-1-ene is C=CCC(CBr)C(C)COC.
What is the InChIKey of 4-(bromomethyl)-6-methoxy-5-methylhex-1-ene?
The InChIKey is QNFRZNIERGTUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO/c1-4-5-9(6-10)8(2)7-11-3/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of 4-(bromomethyl)-6-methoxy-5-methylhex-1-ene?
4-(bromomethyl)-6-methoxy-5-methylhex-1-ene has a molecular weight of 221.14 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-methoxy-5-methylhex-1-ene is sourced from PubChem (CID 165442980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).