(E)-1-(chloromethoxy)hex-2-ene

C7H13ClO — CID 11499241

IUPAC(E)-1-(chloromethoxy)hex-2-ene
SMILESCCC/C=C/COCCl
InChIInChI=1S/C7H13ClO/c1-2-3-4-5-6-9-7-8/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyWSIVIDXZBWNUFL-SNAWJCMRSA-N
MW148.63 g/mol
LogP2.56
Rot. Bonds5

About (E)-1-(chloromethoxy)hex-2-ene

(E)-1-(chloromethoxy)hex-2-ene (PubChem CID 11499241) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is (E)-1-(chloromethoxy)hex-2-ene.

Molecular Properties

Compound Name(E)-1-(chloromethoxy)hex-2-ene
PubChem CID11499241
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name(E)-1-(chloromethoxy)hex-2-ene
SMILESCCC/C=C/COCCl
InChIInChI=1S/C7H13ClO/c1-2-3-4-5-6-9-7-8/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyWSIVIDXZBWNUFL-SNAWJCMRSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.56
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

CID 57482386
CID 57482386
(Z)-1-hex-2-enoxydec-2-ene
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(E)-1-methoxyhex-2-ene
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1-hex-2-enoxypropan-2-one
CID 90766135
(4Z,8E)-dodeca-4,8-diene
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(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
tetrakis(hex-2-enyl) silicate
CID 54207943
[(E)-hex-2-enoxy]methanediol
CID 138520161
1-ethoxyhept-3-ene
CID 547708
1-chloro-4-ethoxybut-2-ene
CID 567303
1-hex-2-enoxy-7-prop-1-enoxyheptane
CID 173319235

Frequently Asked Questions

What is the IUPAC name of (E)-1-(chloromethoxy)hex-2-ene?
The IUPAC name of (E)-1-(chloromethoxy)hex-2-ene (CID 11499241) is (E)-1-(chloromethoxy)hex-2-ene.
What is the SMILES notation for (E)-1-(chloromethoxy)hex-2-ene?
The canonical SMILES for (E)-1-(chloromethoxy)hex-2-ene is CCC/C=C/COCCl.
What is the InChIKey of (E)-1-(chloromethoxy)hex-2-ene?
The InChIKey is WSIVIDXZBWNUFL-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13ClO/c1-2-3-4-5-6-9-7-8/h4-5H,2-3,6-7H2,1H3/b5-4+.
What are the key properties of (E)-1-(chloromethoxy)hex-2-ene?
(E)-1-(chloromethoxy)hex-2-ene has a molecular weight of 148.63 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(chloromethoxy)hex-2-ene is sourced from PubChem (CID 11499241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).