4-chloro-2-methoxyhex-2-ene

C7H13ClO — CID 123624477

IUPAC4-chloro-2-methoxyhex-2-ene
SMILESCCC(Cl)C=C(C)OC
InChIInChI=1S/C7H13ClO/c1-4-7(8)5-6(2)9-3/h5,7H,4H2,1-3H3
InChIKeyUGMASTAZKUGTFV-UHFFFAOYSA-N
MW148.63 g/mol
LogP2.55
Rot. Bonds3

About 4-chloro-2-methoxyhex-2-ene

4-chloro-2-methoxyhex-2-ene (PubChem CID 123624477) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 4-chloro-2-methoxyhex-2-ene.

Molecular Properties

Compound Name4-chloro-2-methoxyhex-2-ene
PubChem CID123624477
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name4-chloro-2-methoxyhex-2-ene
SMILESCCC(Cl)C=C(C)OC
InChIInChI=1S/C7H13ClO/c1-4-7(8)5-6(2)9-3/h5,7H,4H2,1-3H3
InChIKeyUGMASTAZKUGTFV-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Chloro-4-methoxycyclohexa-1,4-diene
CID 15501605
5-Chloro-1-methoxycyclohexa-1,3-diene
CID 22747502
(5E)-2-chloro-5-methoxyhepta-1,5-diene
CID 89128286
1-Chloro-5-methoxycyclohexa-1,4-diene
CID 123599790
(5E)-4-chloro-6-methoxy-5-methylhepta-1,5-diene
CID 138465032
(E)-1-chloro-2-methoxypent-2-ene
CID 140370247
2-Chloro-7-methyl-4,5-dihydrooxepine
CID 142407262
(E)-1-chloro-2-ethoxyhex-2-ene
CID 172858600
3-Chloro-1-methoxycyclohexa-1,4-diene
CID 173278758
5-(1-Chloropropyl)-2,3-dihydrofuran
CID 130480262
4-chloro-6-methyl-3,4-dihydro-2H-pyran
CID 142810358
(Z)-3-(1-chloroethenoxy)pent-2-ene
CID 142810419

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxyhex-2-ene?
The IUPAC name of 4-chloro-2-methoxyhex-2-ene (CID 123624477) is 4-chloro-2-methoxyhex-2-ene.
What is the SMILES notation for 4-chloro-2-methoxyhex-2-ene?
The canonical SMILES for 4-chloro-2-methoxyhex-2-ene is CCC(Cl)C=C(C)OC.
What is the InChIKey of 4-chloro-2-methoxyhex-2-ene?
The InChIKey is UGMASTAZKUGTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c1-4-7(8)5-6(2)9-3/h5,7H,4H2,1-3H3.
What are the key properties of 4-chloro-2-methoxyhex-2-ene?
4-chloro-2-methoxyhex-2-ene has a molecular weight of 148.63 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxyhex-2-ene is sourced from PubChem (CID 123624477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).