3-chloro-2-methoxy-3-methylbut-1-ene

C6H11ClO — CID 144521086

IUPAC3-chloro-2-methoxy-3-methylbut-1-ene
SMILESC=C(OC)C(C)(C)Cl
InChIInChI=1S/C6H11ClO/c1-5(8-4)6(2,3)7/h1H2,2-4H3
InChIKeyKDTNYZJMVSQTLS-UHFFFAOYSA-N
MW134.61 g/mol
LogP2.16
Rot. Bonds2

About 3-chloro-2-methoxy-3-methylbut-1-ene

3-chloro-2-methoxy-3-methylbut-1-ene (PubChem CID 144521086) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 3-chloro-2-methoxy-3-methylbut-1-ene.

Molecular Properties

Compound Name3-chloro-2-methoxy-3-methylbut-1-ene
PubChem CID144521086
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name3-chloro-2-methoxy-3-methylbut-1-ene
SMILESC=C(OC)C(C)(C)Cl
InChIInChI=1S/C6H11ClO/c1-5(8-4)6(2,3)7/h1H2,2-4H3
InChIKeyKDTNYZJMVSQTLS-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-3-methylbut-1-ene?
The IUPAC name of 3-chloro-2-methoxy-3-methylbut-1-ene (CID 144521086) is 3-chloro-2-methoxy-3-methylbut-1-ene.
What is the SMILES notation for 3-chloro-2-methoxy-3-methylbut-1-ene?
The canonical SMILES for 3-chloro-2-methoxy-3-methylbut-1-ene is C=C(OC)C(C)(C)Cl.
What is the InChIKey of 3-chloro-2-methoxy-3-methylbut-1-ene?
The InChIKey is KDTNYZJMVSQTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-5(8-4)6(2,3)7/h1H2,2-4H3.
What are the key properties of 3-chloro-2-methoxy-3-methylbut-1-ene?
3-chloro-2-methoxy-3-methylbut-1-ene has a molecular weight of 134.61 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-3-methylbut-1-ene is sourced from PubChem (CID 144521086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).