4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene

C9H15ClO — CID 13443175

IUPAC4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene
SMILESC=C(C)C(Cl)COC/C=C/C
InChIInChI=1S/C9H15ClO/c1-4-5-6-11-7-9(10)8(2)3/h4-5,9H,2,6-7H2,1,3H3/b5-4+
InChIKeyWMWAHNKRXAWLBK-SNAWJCMRSA-N
MW174.67 g/mol
LogP2.76
Rot. Bonds5

About 4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene

4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene (PubChem CID 13443175) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene
PubChem CID13443175
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene
SMILESC=C(C)C(Cl)COC/C=C/C
InChIInChI=1S/C9H15ClO/c1-4-5-6-11-7-9(10)8(2)3/h4-5,9H,2,6-7H2,1,3H3/b5-4+
InChIKeyWMWAHNKRXAWLBK-SNAWJCMRSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

1-but-2-enoxy-3-methylbut-2-ene
CID 71324581
(4E)-2-methylhexa-1,4-diene
CID 5367524
(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol
CID 87839442
1-bromo-3-but-2-enoxy-2-methylpropane
CID 77052570
methyl 2-bromo-3-[(E)-but-2-enoxy]propanoate
CID 81092651
2-but-2-enoxyprop-2-en-1-ol
CID 57114953
1-(1-chloroethoxy)but-2-ene
CID 91247545
4-but-2-enoxybut-2-en-1-ol
CID 76540479
1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol
CID 173393097
(Z)-but-2-ene;ethane;(E)-1-ethoxybut-2-ene
CID 142112928
1,6-bis(but-2-enoxy)hexane
CID 173425920
3-[(Z)-but-2-enoxy]propanoic acid
CID 10351812

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene?
The IUPAC name of 4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene (CID 13443175) is 4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene?
The canonical SMILES for 4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene is C=C(C)C(Cl)COC/C=C/C.
What is the InChIKey of 4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene?
The InChIKey is WMWAHNKRXAWLBK-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H15ClO/c1-4-5-6-11-7-9(10)8(2)3/h4-5,9H,2,6-7H2,1,3H3/b5-4+.
What are the key properties of 4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene?
4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene has a molecular weight of 174.67 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-3-chloro-2-methylbut-1-ene is sourced from PubChem (CID 13443175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).