5-chloro-5-methoxypent-2-ene

C6H11ClO — CID 173279863

IUPAC5-chloro-5-methoxypent-2-ene
SMILESCC=CCC(Cl)OC
InChIInChI=1S/C6H11ClO/c1-3-4-5-6(7)8-2/h3-4,6H,5H2,1-2H3
InChIKeyKZTIBJGVUCOGTD-UHFFFAOYSA-N
MW134.61 g/mol
LogP2.16
Rot. Bonds3

About 5-chloro-5-methoxypent-2-ene

5-chloro-5-methoxypent-2-ene (PubChem CID 173279863) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 5-chloro-5-methoxypent-2-ene.

Molecular Properties

Compound Name5-chloro-5-methoxypent-2-ene
PubChem CID173279863
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name5-chloro-5-methoxypent-2-ene
SMILESCC=CCC(Cl)OC
InChIInChI=1S/C6H11ClO/c1-3-4-5-6(7)8-2/h3-4,6H,5H2,1-2H3
InChIKeyKZTIBJGVUCOGTD-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-4-methoxybut-1-ene
CID 163540520
ethane;(Z)-5-methoxyhex-2-ene
CID 145378965
1-chloropent-3-en-1-ol
CID 154207104
(E)-5-methoxy-6,6-dimethylhept-2-ene
CID 134995972
(1S,3R)-1,3-dichloro-1,3-dimethoxypropane
CID 130737301
(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene
CID 102155570
ethane;(E)-5-methylhex-2-ene
CID 143114143
dimethyl 2-[(Z)-but-2-enyl]propanedioate
CID 12599389
1-(1-chloroethoxy)but-2-ene
CID 91247545
5-bromohex-2-ene
CID 53438987
1-sulfanylpent-3-en-1-ol
CID 91592280
ethane;5-methylhex-2-ene;propane
CID 143336274

Frequently Asked Questions

What is the IUPAC name of 5-chloro-5-methoxypent-2-ene?
The IUPAC name of 5-chloro-5-methoxypent-2-ene (CID 173279863) is 5-chloro-5-methoxypent-2-ene.
What is the SMILES notation for 5-chloro-5-methoxypent-2-ene?
The canonical SMILES for 5-chloro-5-methoxypent-2-ene is CC=CCC(Cl)OC.
What is the InChIKey of 5-chloro-5-methoxypent-2-ene?
The InChIKey is KZTIBJGVUCOGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-3-4-5-6(7)8-2/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-chloro-5-methoxypent-2-ene?
5-chloro-5-methoxypent-2-ene has a molecular weight of 134.61 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5-methoxypent-2-ene is sourced from PubChem (CID 173279863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).