(Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene

C9H13ClO2 — CID 11074175

IUPAC(Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene
SMILESCOC/C=C\COCC#CCCl
InChIInChI=1S/C9H13ClO2/c1-11-7-4-5-9-12-8-3-2-6-10/h4-5H,6-9H2,1H3/b5-4-
InChIKeyHPNNIRDIDQHJFS-PLNGDYQASA-N
MW188.65 g/mol
LogP1.45
Rot. Bonds5

About (Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene

(Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene (PubChem CID 11074175) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is (Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene.

Molecular Properties

Compound Name(Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene
PubChem CID11074175
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name(Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene
SMILESCOC/C=C\COCC#CCCl
InChIInChI=1S/C9H13ClO2/c1-11-7-4-5-9-12-8-3-2-6-10/h4-5H,6-9H2,1H3/b5-4-
InChIKeyHPNNIRDIDQHJFS-PLNGDYQASA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-ethoxybut-2-yne
CID 55302777
1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne
CID 11252648
(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
CID 143599769
(Z)-1-chloro-4-(methoxymethoxy)but-2-ene
CID 15327011
1-methoxypent-2-ene
CID 551185
(Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol
CID 101162330
(2E,4E)-1-pent-2-ynoxyhexa-2,4-diene
CID 10583159
(Z)-4-dec-2-ynoxybut-2-en-1-ol
CID 11345122
(E)-4-dec-2-ynoxybut-2-en-1-ol
CID 11218372
(E)-1-methoxyhex-2-ene
CID 5366215
2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne
CID 102356227
(2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene
CID 88886083

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene?
The IUPAC name of (Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene (CID 11074175) is (Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene.
What is the SMILES notation for (Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene?
The canonical SMILES for (Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene is COC/C=C\COCC#CCCl.
What is the InChIKey of (Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene?
The InChIKey is HPNNIRDIDQHJFS-PLNGDYQASA-N. The full InChI is InChI=1S/C9H13ClO2/c1-11-7-4-5-9-12-8-3-2-6-10/h4-5H,6-9H2,1H3/b5-4-.
What are the key properties of (Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene?
(Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene has a molecular weight of 188.65 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene is sourced from PubChem (CID 11074175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).