(E)-1,3-dichloro-4-methoxypent-2-ene

C6H10Cl2O — CID 138546725

IUPAC(E)-1,3-dichloro-4-methoxypent-2-ene
SMILESCOC(C)/C(Cl)=C\CCl
InChIInChI=1S/C6H10Cl2O/c1-5(9-2)6(8)3-4-7/h3,5H,4H2,1-2H3/b6-3+
InChIKeyUJBAEMOEMYNQSM-ZZXKWVIFSA-N
MW169.05 g/mol
LogP2.38
Rot. Bonds3

About (E)-1,3-dichloro-4-methoxypent-2-ene

(E)-1,3-dichloro-4-methoxypent-2-ene (PubChem CID 138546725) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is (E)-1,3-dichloro-4-methoxypent-2-ene.

Molecular Properties

Compound Name(E)-1,3-dichloro-4-methoxypent-2-ene
PubChem CID138546725
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name(E)-1,3-dichloro-4-methoxypent-2-ene
SMILESCOC(C)/C(Cl)=C\CCl
InChIInChI=1S/C6H10Cl2O/c1-5(9-2)6(8)3-4-7/h3,5H,4H2,1-2H3/b6-3+
InChIKeyUJBAEMOEMYNQSM-ZZXKWVIFSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1,3-dichloro-4-methoxypent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3,5-dichloro-2-methylpent-3-enal
CID 167249097
(E)-1-chloro-3,4-dimethylpent-2-ene
CID 14510616
1,3,4-trichlorooct-2-ene
CID 174758943
4-methoxy-3-methylpent-2-en-1-amine
CID 104865208
(Z)-2-bromo-1,4-dichlorobut-2-ene
CID 10910617
5-methoxy-4-methylhex-3-en-1-ol
CID 91271839
4-chloro-2-(methoxyamino)but-2-enoic acid
CID 90898516
(2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene
CID 19844970
4-chlorobut-2-en-2-yl(trimethyl)silane
CID 71434756
N-(chloromethyl)-1-methoxyethanamine
CID 146299204
(E)-1-chloro-5-methoxy-3-methylpent-2-ene
CID 13181461
(3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene
CID 102247674

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-dichloro-4-methoxypent-2-ene?
The IUPAC name of (E)-1,3-dichloro-4-methoxypent-2-ene (CID 138546725) is (E)-1,3-dichloro-4-methoxypent-2-ene.
What is the SMILES notation for (E)-1,3-dichloro-4-methoxypent-2-ene?
The canonical SMILES for (E)-1,3-dichloro-4-methoxypent-2-ene is COC(C)/C(Cl)=C\CCl.
What is the InChIKey of (E)-1,3-dichloro-4-methoxypent-2-ene?
The InChIKey is UJBAEMOEMYNQSM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H10Cl2O/c1-5(9-2)6(8)3-4-7/h3,5H,4H2,1-2H3/b6-3+.
What are the key properties of (E)-1,3-dichloro-4-methoxypent-2-ene?
(E)-1,3-dichloro-4-methoxypent-2-ene has a molecular weight of 169.05 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-dichloro-4-methoxypent-2-ene is sourced from PubChem (CID 138546725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).