[4-(chloromethyl)-4-methylhex-5-enoxy]benzene

C14H19ClO — CID 102641999

IUPAC[4-(chloromethyl)-4-methylhex-5-enoxy]benzene
SMILESC=CC(C)(CCl)CCCOc1ccccc1
InChIInChI=1S/C14H19ClO/c1-3-14(2,12-15)10-7-11-16-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3
InChIKeyMFQSKFXORKLKPU-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.28
Rot. Bonds7

About [4-(chloromethyl)-4-methylhex-5-enoxy]benzene

[4-(chloromethyl)-4-methylhex-5-enoxy]benzene (PubChem CID 102641999) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is [4-(chloromethyl)-4-methylhex-5-enoxy]benzene.

Molecular Properties

Compound Name[4-(chloromethyl)-4-methylhex-5-enoxy]benzene
PubChem CID102641999
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name[4-(chloromethyl)-4-methylhex-5-enoxy]benzene
SMILESC=CC(C)(CCl)CCCOc1ccccc1
InChIInChI=1S/C14H19ClO/c1-3-14(2,12-15)10-7-11-16-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3
InChIKeyMFQSKFXORKLKPU-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.28
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

[4-(bromomethyl)-4-methylhex-5-enoxy]benzene
CID 102642192
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
CID 106141093
[(3S)-9-chloro-3-ethenyl-3-methylnonyl]benzene
CID 102357925
4-chloro-2,2-dimethyl-N-(3-phenoxypropyl)butan-1-amine
CID 114148906
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methylbenzene
CID 102642000
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
3,3-bis(chloromethyl)hexoxybenzene
CID 79447958
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
penta-1,4-diene;pentoxybenzene
CID 174999180
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
[3-(chloromethyl)-3-ethylheptoxy]benzene
CID 66034921

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-4-methylhex-5-enoxy]benzene?
The IUPAC name of [4-(chloromethyl)-4-methylhex-5-enoxy]benzene (CID 102641999) is [4-(chloromethyl)-4-methylhex-5-enoxy]benzene.
What is the SMILES notation for [4-(chloromethyl)-4-methylhex-5-enoxy]benzene?
The canonical SMILES for [4-(chloromethyl)-4-methylhex-5-enoxy]benzene is C=CC(C)(CCl)CCCOc1ccccc1.
What is the InChIKey of [4-(chloromethyl)-4-methylhex-5-enoxy]benzene?
The InChIKey is MFQSKFXORKLKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-3-14(2,12-15)10-7-11-16-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3.
What are the key properties of [4-(chloromethyl)-4-methylhex-5-enoxy]benzene?
[4-(chloromethyl)-4-methylhex-5-enoxy]benzene has a molecular weight of 238.76 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-4-methylhex-5-enoxy]benzene is sourced from PubChem (CID 102641999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).