(E)-1-chloro-2-methoxyprop-1-ene

C4H7ClO — CID 5352289

IUPAC(E)-1-chloro-2-methoxyprop-1-ene
SMILESCO/C(C)=C/Cl
InChIInChI=1S/C4H7ClO/c1-4(3-5)6-2/h3H,1-2H3/b4-3+
InChIKeyAHLTYTZNLLPVFE-ONEGZZNKSA-N
MW106.55 g/mol
LogP1.73
Rot. Bonds1

About (E)-1-chloro-2-methoxyprop-1-ene

(E)-1-chloro-2-methoxyprop-1-ene (PubChem CID 5352289) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is (E)-1-chloro-2-methoxyprop-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-2-methoxyprop-1-ene
PubChem CID5352289
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Name(E)-1-chloro-2-methoxyprop-1-ene
SMILESCO/C(C)=C/Cl
InChIInChI=1S/C4H7ClO/c1-4(3-5)6-2/h3H,1-2H3/b4-3+
InChIKeyAHLTYTZNLLPVFE-ONEGZZNKSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.55
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-2,4-dichloro-3-methylbut-3-enoate
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(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene
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1,3,3-trichloro-2-methylprop-1-ene
CID 524158
3-methoxybut-2-enoyl chloride
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methyl 3-chloro-2-methylprop-2-enoate
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methyl (E)-3-chloro-2-methylprop-2-enoate
CID 12586999
2,9-dimethoxydeca-2,8-dien-4,6-diyne
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3-methoxy-N-methylbut-2-enimidoyl chloride
CID 123505027
3-chloro-N-methoxy-2-methylprop-2-en-1-amine
CID 106437820
4-methoxypent-3-en-2-ol
CID 71375431
2,4-dimethoxypenta-1,3-diene
CID 90861204

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-2-methoxyprop-1-ene?
The IUPAC name of (E)-1-chloro-2-methoxyprop-1-ene (CID 5352289) is (E)-1-chloro-2-methoxyprop-1-ene.
What is the SMILES notation for (E)-1-chloro-2-methoxyprop-1-ene?
The canonical SMILES for (E)-1-chloro-2-methoxyprop-1-ene is CO/C(C)=C/Cl.
What is the InChIKey of (E)-1-chloro-2-methoxyprop-1-ene?
The InChIKey is AHLTYTZNLLPVFE-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H7ClO/c1-4(3-5)6-2/h3H,1-2H3/b4-3+.
What are the key properties of (E)-1-chloro-2-methoxyprop-1-ene?
(E)-1-chloro-2-methoxyprop-1-ene has a molecular weight of 106.55 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-2-methoxyprop-1-ene is sourced from PubChem (CID 5352289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).